[4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C17H12N2O6S3 MolecularWeight: 436.48198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

InChI

InChI=1S/C17H12N2O6S3/c1-18-16(20)14(27-17(18)26)10-11-6-8-12(9-7-11)25-28(23,24)15-5-3-2-4-13(15)19(21)22/h2-10H,1H3