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

Systemtic Name: N-(1-adamantylmethyl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(p-tolylthio)nicotinamide Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2OS/c1-16-4-6-20(7-5-16)28-23-21(3-2-8-25-23)22(27)26-15-24-12-17-9-18(13-24)11-19(10-17)14-24/h2-8,17-19H,9-15H2,1H3,(H,26,27)