2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N4O3S/c1-13(26)15-8-5-9-16(10-15)23-18(27)12-29-21-24-19(14-6-3-2-4-7-14)17(11-22)20(28)25-21/h2-10H,12H2,1H3,(H,23,27)(H,24,25,28)