3-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 3-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one CAS Name: 3-(3,5-dimethylphenyl)-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 3-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 3-(3,5-dimethylphenyl)-1-[4-(methylthio)phenyl]propan-1-one Formula: C18H20OS MolecularWeight: 284.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C18H20OS/c1-13-10-14(2)12-15(11-13)4-9-18(19)16-5-7-17(20-3)8-6-16/h5-8,10-12H,4,9H2,1-3H3