N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O2S/c1-2-7-14-12-16(23)21-18(20-14)25-13-17(24)22(11-6-10-19)15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,11,13H2,1H3,(H,20,21,23)