N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4OS/c1-17-15-20(18-9-4-2-5-10-18)25-22(24-17)28-16-21(27)26(14-8-13-23)19-11-6-3-7-12-19/h2-7,9-12,15H,8,14,16H2,1H3