[4-[[(2,3-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[(2,3-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[(2,3-dimethylphenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[(2,3-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[(2,3-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2,3-dimethylphenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC(=C3C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC(=C3C)C)OC

InChI

InChI=1S/C25H27N3O4S2/c1-16-9-10-18(3)24(13-16)34(29,30)32-22-12-11-20(14-23(22)31-5)15-26-28-25(33)27-21-8-6-7-17(2)19(21)4/h6-15H,1-5H3,(H2,27,28,33)