
 OpenBabel04291915483D

 54 56  0  0  0  0  0  0  0  0999 V2000
   -0.6716   14.6429   -4.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264   13.9093   -4.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   12.5973   -4.1029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0707   12.1068   -3.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1128   10.6618   -3.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2703   10.1551   -3.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    8.8934   -2.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    8.4342   -2.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    7.1725   -2.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    6.7134   -2.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3148   10.9576   -3.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094   14.4160   -4.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856   13.1079   -4.2669 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8748   13.7267   -4.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8378   12.6556   -4.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1581   12.8893   -4.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6521   14.2182   -4.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9734   11.9826   -3.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2068   12.2009   -3.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1452   11.1572   -3.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4655   11.3909   -3.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3382   10.4203   -3.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6585   10.6540   -3.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1525   11.9829   -3.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9702   12.8913   -4.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5312    9.6834   -3.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6976    9.9530   -3.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4049   11.4910   -3.7399 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751   12.0089   -3.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440   12.7025   -3.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429   12.1625   -4.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   10.0661   -4.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263   10.6061   -2.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    8.2766   -2.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349    9.0509   -2.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    6.5558   -2.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352    6.0301   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   11.9094   -3.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1616   14.7156   -5.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605   15.2556   -4.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0270   14.0263   -5.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0258   14.5663   -3.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8199   14.8577   -4.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2460   14.6483   -3.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2471   14.1082   -5.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8095   12.3163   -4.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9942    9.4949   -3.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7463   12.4130   -3.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7475   11.8729   -4.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3752   13.0012   -3.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3269   13.8507   -4.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3764   12.4612   -4.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4554    9.2469   -3.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8378    9.4100   -3.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 47  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
>  <SKU>
A16847

>  <Product Name>
iCRT3

>  <CAS>
901751-47-1

>  <M.Wt>
394.52974

>  <Formula>
C23H26N2O2S

>  <Synonyms>
iCRT 3, iCRT-3

>  <URL>
https://www.adooq.com/icrt3.html

$$$$
