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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NCC2=CC=CC=C2

InChI

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