1-[2-(2-chlorophenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(2-chlorophenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-[4-benzylsulfanyl-2-(2-chlorophenyl)-6-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-(2-chlorophenyl)-4-methyl-6-(phenylmethylthio)-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-benzylsulfanyl-2-(2-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-(benzylthio)-2-(2-chlorophenyl)-6-methyl-pyrimidin-5-yl]ethanone Formula: C20H17ClN2OS MolecularWeight: 368.87978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C20H17ClN2OS/c1-13-18(14(2)24)20(25-12-15-8-4-3-5-9-15)23-19(22-13)16-10-6-7-11-17(16)21/h3-11H,12H2,1-2H3