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

Systemtic Name: 1-(4-propan-2-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-propan-2-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-propan-2-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-p-cumenyl-ethanone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-10(2)12-5-7-13(8-6-12)14(20)9-21-16-17-15(11(3)4)18-19-16/h5-8,10-11H,9H2,1-4H3,(H,17,18,19)