2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N4O3S/c1-2-18-17(12-22)20(27)25-21(24-18)29-13-19(26)23-14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-11H,2,13H2,1H3,(H,23,26)(H,24,25,27)