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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-cyanophenyl)sulfanyl-benzamide Openeye Name: 4-(4-cyanophenyl)sulfanyl-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-cyanophenyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-cyanophenyl)sulfanylbenzamide Traditional Name: 4-[(4-cyanophenyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c22-13-15-1-5-18(6-2-15)26-19-7-3-17(4-8-19)21(25)23-20-14-24-11-9-16(20)10-12-24/h1-8,16,20H,9-12,14H2,(H,23,25)