N-[3-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[3-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H19F3N2OS MolecularWeight: 404.44857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2OS/c1-12-7-14(3)20-17(8-12)13(2)9-19(26-20)28-11-18(27)25-16-6-4-5-15(10-16)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,27)