-ISIS-  08091621332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5792    1.4250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4542   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -0.5750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7042   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    1.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7417   -2.0875    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
 10  1  2  0  0  0  0
 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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <ID> (BBL000966)
BBL000966

>  <Rotatable_Bonds> (BBL000966)
2

>  <logP> (BBL000966)
2.859

>  <PSA> (BBL000966)
84.74

>  <H_Donors> (BBL000966)
1

>  <H_Acceptors> (BBL000966)
2

>  <Number_of_rings> (BBL000966)
3

>  <NAME> (BBL000966)
N-(3-chlorophenyl)-3-ethyl[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000966)
336.80

>  <Mol_Formula> (BBL000966)
C14H13ClN4O2S

>  <Smiles> (BBL000966)
CCc1nnc2n1cccc2S(=O)(=O)Nc1cccc(c1)Cl

>  <Alternative_identifier> (BBL000966)
MFCD18804122

$$$$