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

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]thio]acetamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-30-21-4-2-3-19(10-21)22-6-5-20(14-26)24(27-22)31-15-23(29)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-6,10,16-18H,7-9,11-13,15H2,1H3,(H,28,29)