6-bromanyl-3-ethanoyl-2-methylsulfanyl-8-(trifluoromethyl)-1H-quinolin-4-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-methylsulfanyl-8-(trifluoromethyl)-1H-quinolin-4-one Openeye Name: 3-acetyl-6-bromo-2-methylsulfanyl-8-(trifluoromethyl)-1H-quinolin-4-one CAS Name: 3-acetyl-6-bromo-2-(methylthio)-8-(trifluoromethyl)-1H-quinolin-4-one IUPAC Name: 3-acetyl-6-bromo-2-methylsulfanyl-8-(trifluoromethyl)-1H-quinolin-4-one Traditional Name: 3-acetyl-6-bromo-2-(methylthio)-8-(trifluoromethyl)-4-quinolone Formula: C13H9BrF3NO2S MolecularWeight: 380.18027

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC2=C(C=C(C=C2C1=O)Br)C(F)(F)F)SC

Isomeric SMILES

CC(=O)C1=C(NC2=C(C=C(C=C2C1=O)Br)C(F)(F)F)SC

InChI

InChI=1S/C13H9BrF3NO2S/c1-5(19)9-11(20)7-3-6(14)4-8(13(15,16)17)10(7)18-12(9)21-2/h3-4H,1-2H3,(H,18,20)