1-(4-chlorophenyl)-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-1-(4-chlorophenyl)ethanone CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-1-(4-chlorophenyl)ethanone Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]-1-(4-chlorophenyl)ethanone Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C21H17ClN2O2S/c1-13-19(14(2)25)21(24-20(23-13)16-6-4-3-5-7-16)27-12-18(26)15-8-10-17(22)11-9-15/h3-11H,12H2,1-2H3