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

Systemtic Name: N-(1-adamantyl)-2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]acetamide Formula: C30H31N3O3S2 MolecularWeight: 545.71544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

InChI

InChI=1S/C30H31N3O3S2/c1-35-25-6-5-21(11-26(25)36-2)22-12-24(27-4-3-7-37-27)32-29(23(22)16-31)38-17-28(34)33-30-13-18-8-19(14-30)10-20(9-18)15-30/h3-7,11-12,18-20H,8-10,13-15,17H2,1-2H3,(H,33,34)