2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(2-nitrophenyl)acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c25-13-18-5-6-21(24-10-15-7-16(11-24)9-17(8-15)12-24)27-23(18)32-14-22(29)26-19-3-1-2-4-20(19)28(30)31/h1-6,15-17H,7-12,14H2,(H,26,29)