9-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: 9-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: 9-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide CAS Name: 9-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: 9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide Traditional Name: 9-keto-N-[4-(3-pyridylmethylthio)phenyl]bicyclo[3.3.1]nonane-3-carboxamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H24N2O2S/c25-21-16-4-1-5-17(21)12-18(11-16)22(26)24-19-6-8-20(9-7-19)27-14-15-3-2-10-23-13-15/h2-3,6-10,13,16-18H,1,4-5,11-12,14H2,(H,24,26)