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

Systemtic Name: [2-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C19H17NO4S3 MolecularWeight: 419.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)SC1=S

InChI

InChI=1S/C19H17NO4S3/c1-3-20-18(21)17(26-19(20)25)12-14-6-4-5-7-16(14)24-27(22,23)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3