3-(2,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 3-(2,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one CAS Name: 3-(2,5-dimethylphenyl)-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 3-(2,5-dimethylphenyl)-1-[4-(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=C(C=C2)SC

Isomeric SMILES

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

InChI

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