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

Systemtic Name: N-(1-adamantyl)-2-(3-cyano-6-phenyl-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(3-cyano-6-phenyl-4-thiophen-2-yl-2-pyridinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridyl]thio]acetamide Formula: C28H27N3OS2 MolecularWeight: 485.66348

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CS6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CS6)C#N

InChI

InChI=1S/C28H27N3OS2/c29-16-23-22(25-7-4-8-33-25)12-24(21-5-2-1-3-6-21)30-27(23)34-17-26(32)31-28-13-18-9-19(14-28)11-20(10-18)15-28/h1-8,12,18-20H,9-11,13-15,17H2,(H,31,32)