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

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]-N-(3-fluorophenyl)acetamide Formula: C24H24FN3OS MolecularWeight: 421.530263

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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)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C24H24FN3OS/c25-19-2-1-3-20(9-19)27-22(29)14-30-23-18(13-26)4-5-21(28-23)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-12,14H2,(H,27,29)