6-(3-methylphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-(3-methylphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-(m-tolyl)-1H-pyrimidin-4-one CAS Name: 6-(3-methylphenyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-(3-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(m-tolyl)-1H-pyrimidin-4-one Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2OS/c1-13-6-5-9-15(10-13)16-11-17(21)20-18(19-16)22-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20,21)