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

Systemtic Name: N-(4-bromophenyl)-2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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