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

Systemtic Name: 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C25H22F3N3O2S MolecularWeight: 485.52129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H22F3N3O2S/c1-2-3-13-33-19-11-9-17(10-12-19)22-14-21(25(26,27)28)20(15-29)24(31-22)34-16-23(32)30-18-7-5-4-6-8-18/h4-12,14H,2-3,13,16H2,1H3,(H,30,32)