-ISIS-  08251614582D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3458    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.0875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.3292    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.1792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.7375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.2625    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  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 16 18  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID> (STK399753)
STK399753

>  <Rotatable_Bonds> (STK399753)
2

>  <logP> (STK399753)
3.191

>  <PSA> (STK399753)
87.33

>  <H_Donors> (STK399753)
0

>  <H_Acceptors> (STK399753)
0

>  <Number_of_rings> (STK399753)
3

>  <NAME> (STK399753)
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (STK399753)
289.34

>  <Mol_Formula> (STK399753)
C13H12FN5S

>  <Smiles> (STK399753)
Fc1ccc(cc1)n1c(S)nnc1c1cc(nn1C)C

$$$$