N-[3,4-bis(fluoranyl)phenyl]-2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide CAS Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]thio]-N-(3,4-difluorophenyl)acetamide IUPAC Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide Traditional Name: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]thio]-N-(3,4-difluorophenyl)acetamide Formula: C21H18F5N3OS MolecularWeight: 455.444136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)C#N)C(F)(F)F

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)C#N)C(F)(F)F

InChI

InChI=1S/C21H18F5N3OS/c22-15-8-7-12(9-16(15)23)28-18(30)11-31-20-14(10-27)19(21(24,25)26)13-5-3-1-2-4-6-17(13)29-20/h7-9H,1-6,11H2,(H,28,30)