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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-p-cumenyl-ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C14H17N3OS/c1-9(2)11-4-6-12(7-5-11)13(18)8-19-14-15-10(3)16-17-14/h4-7,9H,8H2,1-3H3,(H,15,16,17)