N-[2-(trifluoromethyl)phenyl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(trifluoromethyl)phenyl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(trifluoromethyl)phenyl]-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(trifluoromethyl)phenyl]-2-[(3,6,7-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-(trifluoromethyl)phenyl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(trifluoromethyl)phenyl]-2-[(3,6,7-trimethyl-2-quinolyl)thio]acetamide Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F)C)C

Isomeric SMILES

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F)C)C

InChI

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