4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 2-nitro-4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate Traditional Name: 2-nitro-4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C16H12N5O3S- MolecularWeight: 354.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-10-2-5-12(6-3-10)15-18-19-16(25)20(15)17-9-11-4-7-14(22)13(8-11)21(23)24/h2-9,22H,1H3,(H,19,25)/p-1/b17-9-