N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2OS/c1-17-5-6-22(10-18(17)2)30-25-23(4-3-8-28-25)24(29)27-9-7-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,8,10,19-21H,7,9,11-16H2,1-2H3,(H,27,29)