2-methoxy-6-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate

Systemtic Name: 2-methoxy-6-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 2-methoxy-6-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 2-methoxy-6-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 2-methoxy-6-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 2-methoxy-6-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-11-6-8-12(9-7-11)16-19-20-17(24)21(16)18-10-13-4-3-5-14(23-2)15(13)22/h3-10,22H,1-2H3,(H,20,24)/p-1