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

Systemtic Name: 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-benzoylphenyl)-2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C26H22F3N3O2S MolecularWeight: 497.53199

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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=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22F3N3O2S/c1-25(2,3)21-13-19(26(27,28)29)18(14-30)24(32-21)35-15-22(33)31-20-12-8-7-11-17(20)23(34)16-9-5-4-6-10-16/h4-13H,15H2,1-3H3,(H,31,33)