N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C17H14F3N3OS MolecularWeight: 365.37277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H14F3N3OS/c18-17(19,20)13-7-8-15(22-11-13)25-12-16(24)23(10-4-9-21)14-5-2-1-3-6-14/h1-3,5-8,11H,4,10,12H2