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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-cyanophenyl)sulfanyl-benzamide Openeye Name: 4-(2-cyanophenyl)sulfanyl-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(2-cyanophenyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-cyanophenyl)sulfanylbenzamide Traditional Name: 4-[(2-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=CC=C4C#N

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C#N

InChI

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