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

Systemtic Name: 4-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Openeye Name: 4-[[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate CAS Name: 4-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate IUPAC Name: 4-[[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Traditional Name: 4-[[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diolate Formula: C16H12N4O3S-2 MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=C(C=C3)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=C(C=C3)[O-])[O-]

InChI

InChI=1S/C16H14N4O3S/c1-23-13-6-3-10(4-7-13)15-18-19-16(24)20(15)17-9-11-2-5-12(21)8-14(11)22/h2-9,21-22H,1H3,(H,19,24)/p-2