[2-bromanyl-6-methoxy-4-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-methoxy-4-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-methoxy-4-[[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-bromo-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-bromo-6-methoxy-phenyl] ester Formula: C25H20BrNO5S3 MolecularWeight: 590.529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H20BrNO5S3/c1-16-8-10-19(11-9-16)35(29,30)32-23-20(26)12-18(13-21(23)31-2)14-22-24(28)27(25(33)34-22)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3