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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] benzenesulfonate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-ethoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4S2/c1-2-22-15-10-12(11-18-19-16(17)24)8-9-14(15)23-25(20,21)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H3,17,19,24)/b18-11+