N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1H-pyrrol-2-yl)sulfanyl]benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1H-pyrrol-2-yl)sulfanyl]benzamide Openeye Name: 4-[(5-cyano-1H-pyrrol-2-yl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1H-pyrrol-2-yl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1H-pyrrol-2-yl)sulfanyl]benzamide Traditional Name: 4-[(5-cyano-1H-pyrrol-2-yl)thio]-N-quinuclidin-3-yl-benzamide Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c20-11-15-3-6-18(21-15)25-16-4-1-14(2-5-16)19(24)22-17-12-23-9-7-13(17)8-10-23/h1-6,13,17,21H,7-10,12H2,(H,22,24)