-ISIS-  08251615082D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6792   -0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083    1.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.9458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1042    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8167    1.9167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  2  0  0  0  0
  6  5  1  0  0  0  0
 19 17  2  0  0  0  0
 23 21  2  0  0  0  0
M  CHG  2   2   1  10  -1
M  END
>  <ID> (STL455200)
STL455200

>  <Rotatable_Bonds> (STL455200)
2

>  <logP> (STL455200)
5.428

>  <PSA> (STL455200)
111.34

>  <H_Donors> (STL455200)
1

>  <H_Acceptors> (STL455200)
2

>  <Number_of_rings> (STL455200)
3

>  <NAME> (STL455200)
4-(4-bromophenyl)-2-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-1,3-thiazole

>  <Mol_Weight> (STL455200)
403.26

>  <Mol_Formula> (STL455200)
C16H11BrN4O2S

>  <Smiles> (STL455200)
Brc1ccc(cc1)c1csc(n1)N/N=C/c1ccccc1[N+](=O)[O-]

$$$$