2-[3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-6-(4-isopentyloxy-3-methyl-phenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-cyano-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-cyano-6-(4-isoamoxy-3-methyl-phenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C27H26F3N3O2S MolecularWeight: 513.57445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3)OCCC(C)C

InChI

InChI=1S/C27H26F3N3O2S/c1-17(2)11-12-35-24-10-9-19(13-18(24)3)23-14-22(27(28,29)30)21(15-31)26(33-23)36-16-25(34)32-20-7-5-4-6-8-20/h4-10,13-14,17H,11-12,16H2,1-3H3,(H,32,34)