N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18ClN3O2S/c1-13-10-14(2)24-21(23-13)28-12-19(26)25-18-9-8-16(22)11-17(18)20(27)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)