N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(3,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C20H18ClFN2OS MolecularWeight: 388.886123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)C)C

InChI

InChI=1S/C20H18ClFN2OS/c1-11-6-12(2)19-14(7-11)8-13(3)20(24-19)26-10-18(25)23-15-4-5-17(22)16(21)9-15/h4-9H,10H2,1-3H3,(H,23,25)