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

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]thio]acetamide Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H29N3O2S2/c1-34-22-6-4-21(5-7-22)25-12-23(26-3-2-8-35-26)24(16-30)28(31-25)36-17-27(33)32-29-13-18-9-19(14-29)11-20(10-18)15-29/h2-8,12,18-20H,9-11,13-15,17H2,1H3,(H,32,33)