-ISIS-  08251615082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4542   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.3292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1375    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -1.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1208    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9083    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <ID> (STL495512)
STL495512

>  <Rotatable_Bonds> (STL495512)
0

>  <logP> (STL495512)
5.354

>  <PSA> (STL495512)
58.95

>  <H_Donors> (STL495512)
0

>  <H_Acceptors> (STL495512)
0

>  <Number_of_rings> (STL495512)
3

>  <NAME> (STL495512)
5-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-benzothiazole

>  <Mol_Weight> (STL495512)
277.78

>  <Mol_Formula> (STL495512)
C13H12ClN3S

>  <Smiles> (STL495512)
Cc1cc(n(n1)c1sc2c(n1)c(C)c(cc2)Cl)C

$$$$