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

Systemtic Name: N-(2-bromophenyl)-2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H16BrN3O2S/c1-27-16-9-6-14(7-10-16)18-11-8-15(12-23)21(25-18)28-13-20(26)24-19-5-3-2-4-17(19)22/h2-11H,13H2,1H3,(H,24,26)