N-tert-butyl-2-[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-tert-butylacetamide Traditional Name: 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-tert-butyl-acetamide Formula: C20H20F3N3OS MolecularWeight: 407.45251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=C(C(=CC(=N1)CC2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=C(C(=CC(=N1)CC2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C20H20F3N3OS/c1-19(2,3)26-17(27)12-28-18-15(11-24)16(20(21,22)23)10-14(25-18)9-13-7-5-4-6-8-13/h4-8,10H,9,12H2,1-3H3,(H,26,27)