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

Systemtic Name: propan-2-yl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CN=CC=C3

InChI

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