-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.7958   -0.2542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6083    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.2417    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  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  5  4  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <ID> (BBL000563)
BBL000563

>  <Rotatable_Bonds> (BBL000563)
3

>  <logP> (BBL000563)
2.225

>  <PSA> (BBL000563)
120.83

>  <H_Donors> (BBL000563)
2

>  <H_Acceptors> (BBL000563)
0

>  <Number_of_rings> (BBL000563)
2

>  <NAME> (BBL000563)
4-amino-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000563)
238.34

>  <Mol_Formula> (BBL000563)
C9H10N4S2

>  <Smiles> (BBL000563)
Nn1c(CSc2ccccc2)nnc1S

>  <Alternative_identifier> (BBL000563)
MFCD11868884

$$$$