[3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [3-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C14H12N4O5S2 MolecularWeight: 380.39888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5S2/c15-14(24)17-16-9-10-2-1-3-12(8-10)23-25(21,22)13-6-4-11(5-7-13)18(19)20/h1-9H,(H3,15,17,24)/b16-9+