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

Systemtic Name: [4-[[(2,4-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[(2,4-dimethylphenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[(2,4-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[(2,4-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2,4-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)NC(=S)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)OC)C

InChI

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