
 OpenBabel04291915423D

 50 53  0  0  1  0  0  0  0  0999 V2000
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   -2.8855   -3.1838   12.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0905   -3.6471   10.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -3.6045    9.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9019   -3.0986   10.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722   -2.7630   14.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -4.1158    8.5232 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4234   -3.3517    7.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479   -3.3499    8.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433   -2.6575    7.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8677   -2.6556    8.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8631   -1.9632    7.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1944   -2.6611    6.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -3.9568    7.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -3.4616    8.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -4.3703    6.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1126   -4.2205    5.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -4.6182    4.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649   -4.4740    3.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942   -4.8717    2.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006   -5.4135    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -3.6787    6.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -4.6816    1.4018 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541   -3.2044    1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9072   -5.4684    2.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128   -5.2765   -0.1952 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441   -5.2323   -1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458   -5.6804   -2.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3050   -5.6392   -3.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -6.1025   -4.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -4.6114   -0.7194 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -3.6151   12.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657   -2.7950   12.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -4.0359   10.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -2.9001    9.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -2.5306   15.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -5.1516    8.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8239   -3.8806    9.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4672   -2.1268    6.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0438   -3.1863    9.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8195   -1.5932    7.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -2.4221    6.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -4.7675    5.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985   -5.0345    3.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054   -4.0577    4.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726   -5.8406    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794   -3.2515    6.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6354   -5.6474   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2247   -5.2504   -2.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -6.4673   -5.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  3 34  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
>  <SKU>
A13773

>  <Product Name>
ICA-121431

>  <CAS>
313254-51-2

>  <M.Wt>
449.54526

>  <Formula>
C23H19N3O3S2

>  <Synonyms>
ICA 121431, ICA121431

>  <URL>
https://www.adooq.com/ica-121431.html

$$$$
