N-(6-bromanylquinolin-8-yl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-bromanylquinolin-8-yl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-8-quinolyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(6-bromo-8-quinolinyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-bromoquinolin-8-yl)-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(6-bromo-8-quinolyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=C3C(=CC(=C2)Br)C=CC=N3

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=C3C(=CC(=C2)Br)C=CC=N3

InChI

InChI=1S/C20H17BrN4O2S/c1-12-6-14(10-27-2)16(9-22)20(24-12)28-11-18(26)25-17-8-15(21)7-13-4-3-5-23-19(13)17/h3-8H,10-11H2,1-2H3,(H,25,26)