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

Systemtic Name: 2-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 2-[(E)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 2-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 2-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 2-[(E)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C17H13N4O2S- MolecularWeight: 337.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c1-11-6-8-12(9-7-11)15-19-20-17(24)21(15)18-10-13-4-2-3-5-14(13)16(22)23/h2-10H,1H3,(H,20,24)(H,22,23)/p-1/b18-10+