N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20ClN3OS/c1-13-9-14(2)20(17(22)10-13)25-19(26)12-27-21-23-15(3)11-18(24-21)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,25,26)