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

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C26H26F3N3O2S MolecularWeight: 501.56375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H26F3N3O2S/c1-34-19-4-2-18(3-5-19)22-9-21(26(27,28)29)20(13-30)24(31-22)35-14-23(33)32-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,9,15-17H,6-8,10-12,14H2,1H3,(H,32,33)