methyl 4-[(Z)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(Z)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid methyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N4O3S/c1-24-15-9-7-13(8-10-15)16-20-21-18(26)22(16)19-11-12-3-5-14(6-4-12)17(23)25-2/h3-11H,1-2H3,(H,21,26)/b19-11-