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

Systemtic Name: N-(4-bromophenyl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H18BrN3O3S/c1-28-19-10-4-14(11-20(19)29-2)18-9-3-15(12-24)22(26-18)30-13-21(27)25-17-7-5-16(23)6-8-17/h3-11H,13H2,1-2H3,(H,25,27)