methyl 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-21-15(13-6-8-18-9-7-13)19-20-17(21)24-11-12-4-3-5-14(10-12)16(22)23-2/h3-10H,11H2,1-2H3