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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-chloranylpyridin-3-yl)sulfanyl-benzamide Openeye Name: 4-[(5-chloro-3-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-3-pyridinyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-chloropyridin-3-yl)sulfanylbenzamide Traditional Name: 4-[(5-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=CC(=CN=C4)Cl

Isomeric SMILES

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

InChI

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