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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 1-p-cumenyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H21N3OS/c1-13(2)15-8-10-16(11-9-15)18(24)12-25-20-21-19(22-23-20)17-6-4-14(3)5-7-17/h4-11,13H,12H2,1-3H3,(H,21,22,23)