2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NC=C1)SCC(=O)NC2=CC=CC=C2)C#N

Isomeric SMILES

CN(C)C1=C(C(=NC=C1)SCC(=O)NC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H16N4OS/c1-20(2)14-8-9-18-16(13(14)10-17)22-11-15(21)19-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3,(H,19,21)