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

Systemtic Name: [4-chloranyl-2-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-chloro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-chloro-2-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-4-chloro-phenyl] ester Formula: C20H16ClNO4S3 MolecularWeight: 465.99334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)CC=C

InChI

InChI=1S/C20H16ClNO4S3/c1-3-10-22-19(23)18(28-20(22)27)12-14-11-15(21)6-9-17(14)26-29(24,25)16-7-4-13(2)5-8-16/h3-9,11-12H,1,10H2,2H3