3-methyl-1-(4-methylphenyl)sulfanyl-butan-2-one

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfanyl-butan-2-one Openeye Name: 3-methyl-1-(p-tolylsulfanyl)butan-2-one CAS Name: 3-methyl-1-[(4-methylphenyl)thio]-2-butanone IUPAC Name: 3-methyl-1-(4-methylphenyl)sulfanylbutan-2-one Traditional Name: 3-methyl-1-(p-tolylthio)butan-2-one Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C(C)C

InChI

InChI=1S/C12H16OS/c1-9(2)12(13)8-14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3