null
  CDK     0225161908
null
 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.6566   -2.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446   -2.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -2.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -1.9870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802   -1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248   -2.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -2.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110    0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -0.5587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052   -1.4824    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  6 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  4  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15  2  1  0  0  0  0 
M  END
> <ID>
CHEBI:120490

> <NAME>
LSM-31933

> <STAR>
2

> <FORMULA>
C10H7N3OS

> <MASS>
217.249

> <MONOISOTOPIC_MASS>
217.03098

> <CHARGE>
0

> <SMILES>
CC1=CN2C3=C(C=CC=N3)C(=O)N=C2S1

> <INCHI>
InChI=1S/C10H7N3OS/c1-6-5-13-8-7(3-2-4-11-8)9(14)12-10(13)15-6/h2-5H,1H3

> <INCHIKEY>
UVMANZGFIFOIDD-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-31933

$$$$