-ISIS-  08091621332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1583    1.4458    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0208   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.5792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
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 11  3  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <ID> (BBL000942)
BBL000942

>  <Rotatable_Bonds> (BBL000942)
2

>  <logP> (BBL000942)
1.829

>  <PSA> (BBL000942)
84.74

>  <H_Donors> (BBL000942)
1

>  <H_Acceptors> (BBL000942)
2

>  <Number_of_rings> (BBL000942)
3

>  <NAME> (BBL000942)
3-ethyl-N-phenyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000942)
302.36

>  <Mol_Formula> (BBL000942)
C14H14N4O2S

>  <Smiles> (BBL000942)
CCc1nnc2n1cccc2S(=O)(=O)Nc1ccccc1

>  <Alternative_identifier> (BBL000942)
MFCD18804100

$$$$