2-ethoxy-6-nitro-4-[(Z)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-ethoxy-6-nitro-4-[(Z)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenolate Openeye Name: 4-[(Z)-(benzylcarbamothioylhydrazono)methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 2-ethoxy-6-nitro-4-[(Z)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(benzylthiocarbamoylhydrazono)methyl]-2-ethoxy-6-nitro-phenolate Formula: C17H17N4O4S- MolecularWeight: 373.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-2-25-15-9-13(8-14(16(15)22)21(23)24)11-19-20-17(26)18-10-12-6-4-3-5-7-12/h3-9,11,22H,2,10H2,1H3,(H2,18,20,26)/p-1/b19-11-