3-(2,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)propan-1-one

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)propan-1-one Openeye Name: 3-(2,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)propan-1-one CAS Name: 3-(2,5-dimethylphenyl)-1-[2-(methylthio)phenyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)propan-1-one Traditional Name: 3-(2,5-dimethylphenyl)-1-[2-(methylthio)phenyl]propan-1-one Formula: C18H20OS MolecularWeight: 284.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CCC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CCC(=O)C2=CC=CC=C2SC

InChI

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