[2-ethoxy-4-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-ethoxy-4-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(E)-(benzylcarbamothioylhydrazono)methyl]-2-ethoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-(benzylthiocarbamoylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C23H22N4O6S2 MolecularWeight: 514.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)NCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S2/c1-2-32-21-14-18(16-25-26-23(34)24-15-17-8-4-3-5-9-17)12-13-20(21)33-35(30,31)22-11-7-6-10-19(22)27(28)29/h3-14,16H,2,15H2,1H3,(H2,24,26,34)/b25-16+