2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-p-cumenyl-acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C23H22N4O2S/c1-14(2)16-8-10-18(11-9-16)25-20(28)13-30-23-26-21(19(12-24)22(29)27-23)17-6-4-15(3)5-7-17/h4-11,14H,13H2,1-3H3,(H,25,28)(H,26,27,29)