2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-phenethyl-acetamide Formula: C21H16F3N3OS2 MolecularWeight: 447.49645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C21H16F3N3OS2/c22-21(23,24)16-11-17(18-7-4-10-29-18)27-20(15(16)12-25)30-13-19(28)26-9-8-14-5-2-1-3-6-14/h1-7,10-11H,8-9,13H2,(H,26,28)