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

Systemtic Name: N-(cyanomethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-2-6-13-11-15(22)20-17(19-13)24-12-16(23)21(10-9-18)14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,10,12H2,1H3,(H,19,20,22)