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

Systemtic Name: 4-(2-cyanophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Openeye Name: 4-(2-cyanophenyl)sulfanyl-N-(2-methylquinuclidin-3-yl)benzamide CAS Name: 4-[(2-cyanophenyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(2-cyanophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(2-cyanophenyl)thio]-N-(2-methylquinuclidin-3-yl)benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C#N

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N3OS/c1-15-21(16-10-12-25(15)13-11-16)24-22(26)17-6-8-19(9-7-17)27-20-5-3-2-4-18(20)14-23/h2-9,15-16,21H,10-13H2,1H3,(H,24,26)