| SpectraBase Spectrum ID |
KBspz8D2rG3 |
| Name |
4-(2-Fluorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole |
| Alternate Name(s) |
(E)-methyl 2-(2-(((4-((E)-(2-fluorobenzylidene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)-2-(methoxyimino)acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Wiley ID |
1741516 |
![4-(2-Fluorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole](/api/spectrum/KBspz8D2rG3/structure.png?h=300&w=458 "4-(2-Fluorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole")
