ISISHOST03240423162D 1   1.00000     0.00000  6330

  7  7  0     0  0            999 V2000
   -0.6690    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000    0.5690    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.4138   -0.7034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4552    0.3345    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6690    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4138   -0.7034    0.0000 S   0  0  0  0  0  0           0  0  0
    1.4552    0.3345    0.0000 S   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  7  2  0     0  0
  5  6  1  0     0  0
M  END
> <ID>
CHEBI:8830

> <NAME>
rhodanine

> <STAR>
2

> <SYNONYM>
Rhodanine; 2-thioxothiazolidin-4-one; 2-Thioxo-4-thiazolidinone; 2-sulfanylidene-4-thiazolidinone; 2-sulfanylidene-1,3-thiazolidin-4-one

> <FORMULA>
C3H3NOS2

> <MASS>
133.194

> <MONOISOTOPIC_MASS>
132.96561

> <CHARGE>
0

> <SMILES>
O=C1CSC(=S)N1

> <INCHI>
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

> <INCHIKEY>
KIWUVOGUEXMXSV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
141-84-4

> <KEGG_COMPOUND_ACCESSION>
C07280

$$$$