N-cyclooctyl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-cyclooctyl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclooctyl-pyridine-3-carboxamide CAS Name: N-cyclooctyl-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclooctylpyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-cyclooctyl-nicotinamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c24-20(23-18-12-7-2-1-3-8-13-18)19-14-9-15-22-21(19)25-16-17-10-5-4-6-11-17/h4-6,9-11,14-15,18H,1-3,7-8,12-13,16H2,(H,23,24)