
 OpenBabel04291915493D

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -5.9389   14.9802   -7.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3354   14.9812   -7.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0099   16.0379   -7.5806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2807   16.0388   -7.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0027   14.9093   -7.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3677   19.0794   -9.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0171   18.0635   -8.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3456   17.0121   -8.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0171   15.9616   -7.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3456   14.9102   -7.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0866   13.7510   -6.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5810   14.0031   -6.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0217   17.1991   -8.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2407   13.8864   -6.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6286   11.8930   -5.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1219   10.5970   -5.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9579   12.7638   -6.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9702   11.7186   -5.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6874   10.5960   -5.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9892    9.5022   -4.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6385    8.4858   -4.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9892    7.4685   -3.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6606    6.4176   -3.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9892    5.3657   -2.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    9.5012   -4.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8276   14.2108   -6.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0491   18.0642   -8.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3136   17.0113   -8.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0491   15.9624   -7.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8267   13.6180   -5.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8296   12.8696   -7.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1698   14.2130   -5.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4259   13.5095   -7.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417   17.3782   -9.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9109   18.2322   -7.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2268   12.4009   -4.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1900   11.6333   -6.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4771   10.5147   -4.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4800    9.7679   -5.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5745   12.3395   -6.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5716   13.0864   -5.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535   12.1428   -4.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3565   11.3960   -6.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572    7.4678   -3.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6926    6.4183   -3.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8666    4.4392   -2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8201   10.0597   -4.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
>  <SKU>
A16974

>  <Product Name>
COTI-2

>  <CAS>
1039455-84-9

>  <M.Wt>
366.48318

>  <Formula>
C19H22N6S

>  <Synonyms>
COTI2, COTI 2

>  <URL>
https://www.adooq.com/coti-2.html

$$$$
