6-[[2-bromanyl-3,5-bis(trifluoromethyl)phenyl]amino]-7-methylsulfanyl-quinoline-5,8-dione

Systemtic Name: 6-[[2-bromanyl-3,5-bis(trifluoromethyl)phenyl]amino]-7-methylsulfanyl-quinoline-5,8-dione Openeye Name: 6-[2-bromo-3,5-bis(trifluoromethyl)anilino]-7-methylsulfanyl-quinoline-5,8-dione CAS Name: 6-[2-bromo-3,5-bis(trifluoromethyl)anilino]-7-(methylthio)quinoline-5,8-dione IUPAC Name: 6-[2-bromo-3,5-bis(trifluoromethyl)anilino]-7-methylsulfanylquinoline-5,8-dione Traditional Name: 6-[2-bromo-3,5-bis(trifluoromethyl)anilino]-7-(methylthio)quinoline-5,8-quinone Formula: C18H9BrF6N2O2S MolecularWeight: 511.235679

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC(=CC(=C3Br)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC(=CC(=C3Br)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H9BrF6N2O2S/c1-30-16-13(14(28)8-3-2-4-26-12(8)15(16)29)27-10-6-7(17(20,21)22)5-9(11(10)19)18(23,24)25/h2-6,27H,1H3