3-methyl-1-(4-methylsulfanylphenyl)butan-1-one

Systemtic Name: 3-methyl-1-(4-methylsulfanylphenyl)butan-1-one Openeye Name: 3-methyl-1-(4-methylsulfanylphenyl)butan-1-one CAS Name: 3-methyl-1-[4-(methylthio)phenyl]-1-butanone IUPAC Name: 3-methyl-1-(4-methylsulfanylphenyl)butan-1-one Traditional Name: 3-methyl-1-[4-(methylthio)phenyl]butan-1-one Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)SC

InChI

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