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

Systemtic Name: methyl 4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-5-(3-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=C(C=C2)C(=O)OC)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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