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

Systemtic Name: phenyl 2-[(5-propan-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenyl 2-[[5-isopropyl-4-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid phenyl ester IUPAC Name: phenyl 2-[(5-propan-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid phenyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=NC=C2)SCC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=NC=C2)SCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13(2)17-20-21-18(22(17)14-8-10-19-11-9-14)25-12-16(23)24-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3