N-(2-cyanoethyl)-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C18H20N4OS/c1-13-14(2)20-18(21-15(13)3)24-12-17(23)22(11-7-10-19)16-8-5-4-6-9-16/h4-6,8-9H,7,11-12H2,1-3H3