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

Systemtic Name: methyl 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid methyl ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5O2S/c1-23-15(22)13-4-2-11(3-5-13)10-18-21-14(19-20-16(21)24)12-6-8-17-9-7-12/h2-10H,1H3,(H,20,24)/b18-10+