-ISIS-  08251613322D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -5.7417   -1.0583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4583   -2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7000   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -0.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0583    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6833    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
  8  5  2  0  0  0  0
  7  6  2  0  0  0  0
M  END
>  <ID> (STK672484)
STK672484

>  <Rotatable_Bonds> (STK672484)
11

>  <logP> (STK672484)
4.66

>  <PSA> (STK672484)
124.63

>  <H_Donors> (STK672484)
2

>  <H_Acceptors> (STK672484)
0

>  <Number_of_rings> (STK672484)
2

>  <NAME> (STK672484)
3-{[2-(octylsulfanyl)ethyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine

>  <Mol_Weight> (STK672484)
328.51

>  <Mol_Formula> (STK672484)
C13H24N6S2

>  <Smiles> (STK672484)
CCCCCCCCSCCSc1nnc2n1ncn2N

$$$$