[2-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [2-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-[(E)-(benzylcarbamothioylhydrazono)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-(benzylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S2/c25-29(26,19-12-5-2-6-13-19)27-20-14-8-7-11-18(20)16-23-24-21(28)22-15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H2,22,24,28)/b23-16+