2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[2,3,4-tris(bromanyl)-6-methoxy-phenyl]ethanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[2,3,4-tris(bromanyl)-6-methoxy-phenyl]ethanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2,3,4-tribromo-6-methoxy-phenyl)acetamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2,3,4-tribromo-6-methoxyphenyl)acetamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2,3,4-tribromo-6-methoxyphenyl)acetamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(2,3,4-tribromo-6-methoxy-phenyl)acetamide Formula: C19H18Br3N3O2S MolecularWeight: 592.14212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=C(C(=C(C=C2OC)Br)Br)Br

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=C(C(=C(C=C2OC)Br)Br)Br

InChI

InChI=1S/C19H18Br3N3O2S/c1-3-4-5-12-7-6-11(9-23)19(24-12)28-10-15(26)25-18-14(27-2)8-13(20)16(21)17(18)22/h6-8H,3-5,10H2,1-2H3,(H,25,26)