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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-cyanopyridin-3-yl)sulfanyl-benzamide Openeye Name: 4-[(5-cyano-3-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-3-pyridinyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-cyanopyridin-3-yl)sulfanylbenzamide Traditional Name: 4-[(5-cyano-3-pyridyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)C#N

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)C#N

InChI

InChI=1S/C20H20N4OS/c21-10-14-9-18(12-22-11-14)26-17-3-1-16(2-4-17)20(25)23-19-13-24-7-5-15(19)6-8-24/h1-4,9,11-12,15,19H,5-8,13H2,(H,23,25)