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4-(2-Methoxybenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole
SpectraBase Compound ID 9HeMhReXcSB
InChI InChI=1S/C22H20F3N5O4S/c1-32-17-11-7-5-8-14(17)12-26-30-20(22(23,24)25)27-28-21(30)35-13-15-9-4-6-10-16(15)18(29-34-3)19(31)33-2/h4-12H,13H2,1-3H3/b26-12+,29-18+
InChIKey AAJGTNVOZKEILJ-HANURTMWSA-N
Mol Weight 507.49 g/mol
Molecular Formula C22H20F3N5O4S
Exact Mass 507.11881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjKGqXyGGfr
Name 4-(2-Methoxybenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20F3N5O4S
InChI InChI=1S/C22H20F3N5O4S/c1-32-17-11-7-5-8-14(17)12-26-30-20(22(23,24)25)27-28-21(30)35-13-15-9-4-6-10-16(15)18(29-34-3)19(31)33-2/h4-12H,13H2,1-3H3/b26-12+,29-18+
InChIKey AAJGTNVOZKEILJ-HANURTMWSA-N
Molecular Weight 507.488 g/mol
SMILES c1([n](c(nn1)SCc1c(\C(C(=O)OC)=N/OC)cccc1)\N=C\c1c(OC)cccc1)C(F)(F)F
SPLASH splash10-0a4i-5590000000-9036f7cba1a5d02dbbaf
Source of Spectrum Y-51-1347-3l
Synonyms (E)-methyl 2-(2-(((4-((E)-(2-methoxybenzylidene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)-2-(methoxyimino)acetate
Wiley ID 1741515