4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate

Systemtic Name: 4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Openeye Name: 4-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate CAS Name: 4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate IUPAC Name: 4-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Traditional Name: 4-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Formula: C16H12N4O2S-2 MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-10-2-4-11(5-3-10)15-18-19-16(23)20(15)17-9-12-6-7-13(21)8-14(12)22/h2-9,21-22H,1H3,(H,19,23)/p-2