2-methyl-4-(4-methylsulfanylphenyl)-2,3-dihydroinden-1-one

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-2,3-dihydroinden-1-one Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)indan-1-one CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-2,3-dihydroinden-1-one IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-2,3-dihydroinden-1-one Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]indan-1-one Formula: C17H16OS MolecularWeight: 268.37334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC=C2C1=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1CC2=C(C=CC=C2C1=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H16OS/c1-11-10-16-14(4-3-5-15(16)17(11)18)12-6-8-13(19-2)9-7-12/h3-9,11H,10H2,1-2H3