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

Systemtic Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)16-7-5-8-17(11-16)26-19(28)13-29-20-15(12-25)10-14-6-3-1-2-4-9-18(14)27-20/h5,7-8,10-11H,1-4,6,9,13H2,(H,26,28)