N-(1-adamantyl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-2-(p-tolylthio)nicotinamide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N2OS/c1-15-4-6-19(7-5-15)27-22-20(3-2-8-24-22)21(26)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-8,16-18H,9-14H2,1H3,(H,25,26)