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4-(2-Fluorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole
SpectraBase Compound ID 7iM169rszvC
InChI InChI=1S/C21H17F4N5O3S/c1-32-18(31)17(29-33-2)15-9-5-3-8-14(15)12-34-20-28-27-19(21(23,24)25)30(20)26-11-13-7-4-6-10-16(13)22/h3-11H,12H2,1-2H3/b26-11+,29-17+
InChIKey BBJHMVYRUZLUEM-DUOGVDFRSA-N
Mol Weight 495.45 g/mol
Molecular Formula C21H17F4N5O3S
Exact Mass 495.098823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBspz8D2rG3
Name 4-(2-Fluorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole
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Formula C21H17F4N5O3S
InChI InChI=1S/C21H17F4N5O3S/c1-32-18(31)17(29-33-2)15-9-5-3-8-14(15)12-34-20-28-27-19(21(23,24)25)30(20)26-11-13-7-4-6-10-16(13)22/h3-11H,12H2,1-2H3/b26-11+,29-17+
InChIKey BBJHMVYRUZLUEM-DUOGVDFRSA-N
Molecular Weight 495.453 g/mol
SMILES c1([n](c(nn1)SCc1c(\C(C(=O)OC)=N/OC)cccc1)\N=C\c1c(F)cccc1)C(F)(F)F
SPLASH splash10-0a4i-3690000000-10d4660444ad984f71ea
Source of Spectrum Y-51-1347-3j
Synonyms (E)-methyl 2-(2-(((4-((E)-(2-fluorobenzylidene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)-2-(methoxyimino)acetate
Wiley ID 1741516