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

Systemtic Name: 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-p-phenetyl-acetamide Formula: C27H26F3N3O3S MolecularWeight: 529.57385

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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=C(C=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H26F3N3O3S/c1-3-5-14-36-21-10-6-18(7-11-21)24-15-23(27(28,29)30)22(16-31)26(33-24)37-17-25(34)32-19-8-12-20(13-9-19)35-4-2/h6-13,15H,3-5,14,17H2,1-2H3,(H,32,34)