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1-(4-Chlorophenyl)-3-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]urea
SpectraBase Compound ID LtpvU5U7u7c
InChI InChI=1S/C19H15ClF3N3OS/c20-12-5-7-13(8-6-12)25-18(27)24-9-10-28-16-11-17(19(21,22)23)26-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2,(H2,24,25,27)
InChIKey WLPQQGUIAMVWMI-UHFFFAOYSA-N
Mol Weight 425.86 g/mol
Molecular Formula C19H15ClF3N3OS
Exact Mass 425.057645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEiQzUoelyy
Name 1-(4-Chlorophenyl)-3-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]urea
Alternate Name(s) 1-(4-Chlorophenyl)-3-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]urea 1-(4-Chlorophenyl)-3-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]urea
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Formula C19H15ClF3N3OS
InChI InChI=1S/C19H15ClF3N3OS/c20-12-5-7-13(8-6-12)25-18(27)24-9-10-28-16-11-17(19(21,22)23)26-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2,(H2,24,25,27)
InChIKey WLPQQGUIAMVWMI-UHFFFAOYSA-N
Molecular Weight 425.857 g/mol
SMILES N(C(Nc1ccc(cc1)Cl)=O)CCSc1cc(nc2c1cccc2)C(F)(F)F
SPLASH splash10-004i-4950000000-1988cdda877593a3d3d0
Wiley ID 1446990