N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-cyanopyridin-2-yl)sulfanyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-cyanopyridin-2-yl)sulfanyl-benzamide Openeye Name: 4-[(6-cyano-2-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(6-cyano-2-pyridinyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-cyanopyridin-2-yl)sulfanylbenzamide Traditional Name: 4-[(6-cyano-2-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=CC=CC(=N4)C#N

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=N4)C#N

InChI

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