2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N,N-diethyl-acetamide Formula: C23H28F3N3OS MolecularWeight: 451.54813

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

InChI

InChI=1S/C23H28F3N3OS/c1-3-29(4-2)20(30)13-31-21-17(12-27)18(23(24,25)26)8-19(28-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h8,14-16H,3-7,9-11,13H2,1-2H3