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

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

Isomeric SMILES

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

InChI

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