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

Systemtic Name: 3-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-(4-methoxyphenyl)propionamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O2S/c1-20(2,3)17-11-16(21(22,23)24)15(12-25)19(27-17)30-10-9-18(28)26-13-5-7-14(29-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,26,28)