5-(2-cyanophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide

Systemtic Name: 5-(2-cyanophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide Openeye Name: 5-(2-cyanophenyl)sulfanyl-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide CAS Name: 5-[(2-cyanophenyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-thiophenecarboxamide IUPAC Name: 5-(2-cyanophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide Traditional Name: 5-[(2-cyanophenyl)thio]-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)SC4=CC=CC=C4C#N

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)SC4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N3OS2/c1-13-19(14-8-10-23(13)11-9-14)22-20(24)17-6-7-18(26-17)25-16-5-3-2-4-15(16)12-21/h2-7,13-14,19H,8-11H2,1H3,(H,22,24)