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

Systemtic Name: 4-(2-cyanopyridin-4-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Openeye Name: 4-[(2-cyano-4-pyridyl)sulfanyl]-N-(2-methylquinuclidin-3-yl)benzamide CAS Name: 4-[(2-cyano-4-pyridinyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(2-cyanopyridin-4-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(2-cyano-4-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=CC(=NC=C4)C#N

Isomeric SMILES

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

InChI

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