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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-chloranylpyridin-3-yl)sulfanyl-benzamide Openeye Name: 4-[(2-chloro-3-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(2-chloro-3-pyridinyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-chloropyridin-3-yl)sulfanylbenzamide Traditional Name: 4-[(2-chloro-3-pyridyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3OS/c20-18-17(2-1-9-21-18)25-15-5-3-14(4-6-15)19(24)22-16-12-23-10-7-13(16)8-11-23/h1-6,9,13,16H,7-8,10-12H2,(H,22,24)