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2-{4-Oxo-2-thioxo-5-[2-thioxo-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-4-ylmethylen]-thiazolidin-3-yl}-isoindolin-1,3-dione
SpectraBase Compound ID H8WyK68gLNL
InChI InChI=1S/C22H10F3N3O3S4/c23-22(24,25)11-4-3-5-12(8-11)26-13(10-34-20(26)32)9-16-19(31)28(21(33)35-16)27-17(29)14-6-1-2-7-15(14)18(27)30/h1-10H/b16-9-
InChIKey ISUNUTNTFWQLSM-SXGWCWSVSA-N
Mol Weight 549.6 g/mol
Molecular Formula C22H10F3N3O3S4
Exact Mass 548.95571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QWtY763ajE
Name 2-{4-Oxo-2-thioxo-5-[2-thioxo-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-4-ylmethylen]-thiazolidin-3-yl}-isoindolin-1,3-dione
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Formula C22H10F3N3O3S4
InChI InChI=1S/C22H10F3N3O3S4/c23-22(24,25)11-4-3-5-12(8-11)26-13(10-34-20(26)32)9-16-19(31)28(21(33)35-16)27-17(29)14-6-1-2-7-15(14)18(27)30/h1-10H/b16-9-
InChIKey ISUNUTNTFWQLSM-SXGWCWSVSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_5_445
Molecular Weight 549.575 g/mol
SMILES C1(N(C(c2ccccc12)=O)N1C(S\C(C1=O)=C\C=1N(C(SC1)=S)c1cc(ccc1)C(F)(F)F)=S)=O
SPLASH splash10-014j-0209080000-2dd6f743f8193c5ecf6b
Source of Spectrum JF-342-458-12c
Synonyms (Z)-2-(4-oxo-2-thioxo-5-((2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydrothiazol-4-yl)methylene)thiazolidin-3-yl)isoindoline-1,3-dione
Wiley ID 1766986