-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9500   -0.3792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.0667   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542    1.9833    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  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
  4  5  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID> (BBL000594)
BBL000594

>  <Rotatable_Bonds> (BBL000594)
2

>  <logP> (BBL000594)
2.687

>  <PSA> (BBL000594)
95.53

>  <H_Donors> (BBL000594)
2

>  <H_Acceptors> (BBL000594)
0

>  <Number_of_rings> (BBL000594)
2

>  <NAME> (BBL000594)
4-amino-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000594)
206.27

>  <Mol_Formula> (BBL000594)
C9H10N4S

>  <Smiles> (BBL000594)
Cc1cccc(c1)c1nnc(n1N)S

>  <Alternative_identifier> (BBL000594)
MFCD01064446

$$$$