methyl 2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-13(2)15-8-4-5-9-16(15)23-18(14-7-6-10-20-11-14)21-22-19(23)26-12-17(24)25-3/h4-11,13H,12H2,1-3H3