N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S/c1-3-5-14-11-17(25)23-19(22-14)27-12-18(26)24(9-4-8-21)15-6-7-16(20)13(2)10-15/h6-7,10-11H,3-5,9,12H2,1-2H3,(H,22,23,25)