4-(5-cyanopyridin-3-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

Systemtic Name: 4-(5-cyanopyridin-3-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Openeye Name: 4-[(5-cyano-3-pyridyl)sulfanyl]-N-(2-methylquinuclidin-3-yl)benzamide CAS Name: 4-[(5-cyano-3-pyridinyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(5-cyanopyridin-3-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(5-cyano-3-pyridyl)thio]-N-(2-methylquinuclidin-3-yl)benzamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)C#N

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)C#N

InChI

InChI=1S/C21H22N4OS/c1-14-20(16-6-8-25(14)9-7-16)24-21(26)17-2-4-18(5-3-17)27-19-10-15(11-22)12-23-13-19/h2-5,10,12-14,16,20H,6-9H2,1H3,(H,24,26)