-ISIS-  08091621332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8708    1.1000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.8917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -1.4167    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 18  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 15 19  2  0  0  0  0
 12  4  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <ID> (BBL000954)
BBL000954

>  <Rotatable_Bonds> (BBL000954)
1

>  <logP> (BBL000954)
2.036

>  <PSA> (BBL000954)
84.74

>  <H_Donors> (BBL000954)
1

>  <H_Acceptors> (BBL000954)
2

>  <Number_of_rings> (BBL000954)
3

>  <NAME> (BBL000954)
N-(4-ethylphenyl)[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000954)
302.36

>  <Mol_Formula> (BBL000954)
C14H14N4O2S

>  <Smiles> (BBL000954)
CCc1ccc(cc1)NS(=O)(=O)c1cccn2c1nnc2

>  <Alternative_identifier> (BBL000954)
MFCD18804110

$$$$