2-[[4-(phenylcarbonyl)phenyl]-sulfanyl-methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[4-(phenylcarbonyl)phenyl]-sulfanyl-methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-benzoylphenyl)-sulfanyl-methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-benzoylphenyl)-mercaptomethyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-benzoylphenyl)-sulfanylmethyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-benzoylphenyl)-mercapto-methyl]-1H-pyrimidin-6-one Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=NC=CC(=O)N3)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=NC=CC(=O)N3)S

InChI

InChI=1S/C18H14N2O2S/c21-15-10-11-19-18(20-15)17(23)14-8-6-13(7-9-14)16(22)12-4-2-1-3-5-12/h1-11,17,23H,(H,19,20,21)