N-(cyanomethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]-N-phenyl-acetamide Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4OS/c1-12-10-15(19-13(2)18-12)22-11-16(21)20(9-8-17)14-6-4-3-5-7-14/h3-7,10H,9,11H2,1-2H3