-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2167   -0.2667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4083    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.0583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  4  5  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID> (BBL000544)
BBL000544

>  <Rotatable_Bonds> (BBL000544)
2

>  <logP> (BBL000544)
3.023

>  <PSA> (BBL000544)
95.53

>  <H_Donors> (BBL000544)
2

>  <H_Acceptors> (BBL000544)
0

>  <Number_of_rings> (BBL000544)
2

>  <NAME> (BBL000544)
4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000544)
226.69

>  <Mol_Formula> (BBL000544)
C8H7ClN4S

>  <Smiles> (BBL000544)
Clc1cccc(c1)c1nnc(n1N)S

>  <CAS_Number> (BBL000544)
117320-66-8

>  <Alternative_identifier> (BBL000544)
MFCD01940466

$$$$