(4-methylsulfanylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [4-(methylthio)benzyl] ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C16H14N4O2S/c1-23-13-6-4-12(5-7-13)9-22-16(21)14-3-2-8-18-15(14)20-11-17-10-19-20/h2-8,10-11H,9H2,1H3