-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8583    1.1208    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7208    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.9083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9708   -1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 12  4  1  0  0  0  0
  6  8  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <ID> (BBL000943)
BBL000943

>  <Rotatable_Bonds> (BBL000943)
1

>  <logP> (BBL000943)
1.504

>  <PSA> (BBL000943)
84.74

>  <H_Donors> (BBL000943)
1

>  <H_Acceptors> (BBL000943)
2

>  <Number_of_rings> (BBL000943)
3

>  <NAME> (BBL000943)
N-(3-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000943)
288.33

>  <Mol_Formula> (BBL000943)
C13H12N4O2S

>  <Smiles> (BBL000943)
Cc1cccc(c1)NS(=O)(=O)c1cccn2c1nnc2

>  <Alternative_identifier> (BBL000943)
MFCD18804101

$$$$