-ISIS-  08251614272D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.4250    0.7042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.6042    1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042    2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5000   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
  6  3  1  0  0  0  0
 12 10  1  0  0  0  0
 16 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <ID> (STK946065)
STK946065

>  <Rotatable_Bonds> (STK946065)
2

>  <logP> (STK946065)
5.115

>  <PSA> (STK946065)
69.51

>  <H_Donors> (STK946065)
0

>  <H_Acceptors> (STK946065)
0

>  <Number_of_rings> (STK946065)
4

>  <NAME> (STK946065)
4-(bicyclo[2.2.1]hept-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (STK946065)
285.41

>  <Mol_Formula> (STK946065)
C16H19N3S

>  <Smiles> (STK946065)
Cc1ccc(cc1)c1nnc(n1C1CC2CC1CC2)S

$$$$