N-(1-adamantyl)-2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]thio]acetamide Formula: C30H28FN3OS MolecularWeight: 497.626223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=C(C=C5)F)C6=CC=CC=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=C(C=C5)F)C6=CC=CC=C6)C#N

InChI

InChI=1S/C30H28FN3OS/c31-24-8-6-23(7-9-24)27-13-25(22-4-2-1-3-5-22)26(17-32)29(33-27)36-18-28(35)34-30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,19-21H,10-12,14-16,18H2,(H,34,35)