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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-cyclopropyl-acetamide Formula: C22H24F3N3OS MolecularWeight: 435.50567

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C#N

Isomeric SMILES

C1CC1NC(=O)CSC2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C#N

InChI

InChI=1S/C22H24F3N3OS/c23-22(24,25)17-6-18(21-7-12-3-13(8-21)5-14(4-12)9-21)28-20(16(17)10-26)30-11-19(29)27-15-1-2-15/h6,12-15H,1-5,7-9,11H2,(H,27,29)