3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimidin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimidin-4-one Openeye Name: 2-(4-methylsulfanylphenyl)-3-(p-tolyl)pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-2-[4-(methylthio)phenyl]-4-pyrimidinone IUPAC Name: 3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimidin-4-one Traditional Name: 2-[4-(methylthio)phenyl]-3-(p-tolyl)pyrimidin-4-one Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CN=C2C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CN=C2C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16N2OS/c1-13-3-7-15(8-4-13)20-17(21)11-12-19-18(20)14-5-9-16(22-2)10-6-14/h3-12H,1-2H3