[3-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-(benzylcarbamothioylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-(benzylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=N/NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S2/c1-17-10-12-21(13-11-17)30(26,27)28-20-9-5-8-19(14-20)16-24-25-22(29)23-15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H2,23,25,29)/b24-16+