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

Systemtic Name: N-(2-adamantyl)-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2-adamantyl)-2-benzylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-adamantyl)-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-adamantyl)-2-benzylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-adamantyl)-2-(benzylthio)nicotinamide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C23H26N2OS/c26-22(25-21-18-10-16-9-17(12-18)13-19(21)11-16)20-7-4-8-24-23(20)27-14-15-5-2-1-3-6-15/h1-8,16-19,21H,9-14H2,(H,25,26)