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

Systemtic Name: 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(3-fluorophenyl)acetamide Formula: C19H17F4N3OS MolecularWeight: 411.416393

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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)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C19H17F4N3OS/c1-18(2,3)15-8-14(19(21,22)23)13(9-24)17(26-15)28-10-16(27)25-12-6-4-5-11(20)7-12/h4-8H,10H2,1-3H3,(H,25,27)