N-(4-chlorophenyl)-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-chlorophenyl)acetamide CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-(4-chlorophenyl)acetamide Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]-N-(4-chlorophenyl)acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)C

InChI

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