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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-21-15(13-7-9-18-10-8-13)19-20-17(21)24-12-11-23-16(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3