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

Systemtic Name: N-(2-cyanoethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]-N-phenyl-acetamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4OS/c1-13-11-16(20-14(2)19-13)23-12-17(22)21(10-6-9-18)15-7-4-3-5-8-15/h3-5,7-8,11H,6,10,12H2,1-2H3