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

Systemtic Name: propan-2-yl 2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-benzyl-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:

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-14(2)25-17(24)13-26-19-22-21-18(16-9-6-10-20-11-16)23(19)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3