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

Systemtic Name: 1-(4-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-p-cumenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-12(2)13-3-5-14(6-4-13)16(23)11-24-18-20-17(21-22-18)15-7-9-19-10-8-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)