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1-(3,4-dichlorophenyl)-3-[2-thioxo-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-4-ylmethyl]-urea
SpectraBase Compound ID Ikek60LqZiV
InChI InChI=1S/C18H12Cl2F3N3OS2/c19-14-5-4-11(7-15(14)20)25-16(27)24-8-13-9-29-17(28)26(13)12-3-1-2-10(6-12)18(21,22)23/h1-7,9H,8H2,(H2,24,25,27)
InChIKey FEJIRGZUVUHGGG-UHFFFAOYSA-N
Mol Weight 478.34 g/mol
Molecular Formula C18H12Cl2F3N3OS2
Exact Mass 476.975094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aljapzLitp
Name 1-(3,4-dichlorophenyl)-3-[2-thioxo-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-4-ylmethyl]-urea
Alternate Name(s) 1-(3,4-dichlorophenyl)-3-((2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydrothiazol-4-yl)methyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2F3N3OS2
InChI InChI=1S/C18H12Cl2F3N3OS2/c19-14-5-4-11(7-15(14)20)25-16(27)24-8-13-9-29-17(28)26(13)12-3-1-2-10(6-12)18(21,22)23/h1-7,9H,8H2,(H2,24,25,27)
InChIKey FEJIRGZUVUHGGG-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 478.335 g/mol
SMILES N(CC=1N(C(=S)SC1)c1cc(C(F)(F)F)ccc1)C(Nc1ccc(c(c1)Cl)Cl)=O
SPLASH splash10-03dr-0921000000-f00a9f0b3b961623bfe6
Source of Spectrum JF-342-369-16a
Wiley ID 1766940