2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C17H13ClF3N3OS MolecularWeight: 399.81783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF3N3OS/c18-14-9-12(17(19,20)21)10-23-16(14)26-11-15(25)24(8-4-7-22)13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,8,11H2