6-[[2,6-bis(chloranyl)-4-(trifluoromethylsulfanyl)phenyl]amino]-7-propylsulfanyl-quinoline-5,8-dione

Systemtic Name: 6-[[2,6-bis(chloranyl)-4-(trifluoromethylsulfanyl)phenyl]amino]-7-propylsulfanyl-quinoline-5,8-dione Openeye Name: 6-[2,6-dichloro-4-(trifluoromethylsulfanyl)anilino]-7-propylsulfanyl-quinoline-5,8-dione CAS Name: 6-[2,6-dichloro-4-(trifluoromethylthio)anilino]-7-(propylthio)quinoline-5,8-dione IUPAC Name: 6-[2,6-dichloro-4-(trifluoromethylsulfanyl)anilino]-7-propylsulfanylquinoline-5,8-dione Traditional Name: 6-[2,6-dichloro-4-(trifluoromethylthio)anilino]-7-(propylthio)quinoline-5,8-quinone Formula: C19H13Cl2F3N2O2S2 MolecularWeight: 493.34993

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=C(C=C(C=C3Cl)SC(F)(F)F)Cl

Isomeric SMILES

CCCSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=C(C=C(C=C3Cl)SC(F)(F)F)Cl

InChI

InChI=1S/C19H13Cl2F3N2O2S2/c1-2-6-29-18-15(16(27)10-4-3-5-25-13(10)17(18)28)26-14-11(20)7-9(8-12(14)21)30-19(22,23)24/h3-5,7-8,26H,2,6H2,1H3