-ISIS-  08251613402D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.9708    2.7750    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0958    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    4.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -0.2417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6458    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1042    5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16 19  1  0  0  0  0
 17  1  2  0  0  0  0
 18  1  2  0  0  0  0
 19 21  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 23  6  2  0  0  0  0
 24 16  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 23  1  0  0  0  0
 28 31  1  0  0  0  0
 29 14  2  0  0  0  0
 30 15  2  0  0  0  0
 31 20  2  0  0  0  0
 32 24  1  0  0  0  0
 33 32  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 36 13  1  0  0  0  0
 12 25  1  0  0  0  0
  4 11  2  0  0  0  0
 14  8  1  0  0  0  0
 29 34  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <ID> (STL048205)
STL048205

>  <Rotatable_Bonds> (STL048205)
4

>  <PSA> (STL048205)
171.62

>  <H_Donors> (STL048205)
2

>  <H_Acceptors> (STL048205)
4

>  <Number_of_rings> (STL048205)
5

>  <Mol_Weight> (STL048205)
506.57

>  <Mol_Formula> (STL048205)
C23H18N6O4S2

>  <Smiles> (STL048205)
CCOC(=O)c1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

$$$$