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

Systemtic Name: [2-methoxy-4-[(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(2-methoxyethylcarbamothioylhydrazono)methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(2-methoxyethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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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)NCCOC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-14-5-6-15(2)19(11-14)30(24,25)28-17-8-7-16(12-18(17)27-4)13-22-23-20(29)21-9-10-26-3/h5-8,11-13H,9-10H2,1-4H3,(H2,21,23,29)