N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetamide Formula: C21H18BrN3OS MolecularWeight: 440.35612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H18BrN3OS/c1-3-14-5-7-18-15(9-14)10-16(11-23)21(25-18)27-12-20(26)24-19-6-4-13(2)8-17(19)22/h4-10H,3,12H2,1-2H3,(H,24,26)