1-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-(benzylthio)-1-(3,4-dimethylphenyl)propan-1-one Formula: C18H20OS MolecularWeight: 284.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SCC2=CC=CC=C2)C

InChI

InChI=1S/C18H20OS/c1-13-9-10-17(11-14(13)2)18(19)15(3)20-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3