| SpectraBase Spectrum ID |
4lXBTC2wDvD |
| Name |
4-(3-Nitrobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole |
| Alternate Name(s) |
(E)-methyl 2-(methoxyimino)-2-(2-(((4-((E)-(3-nitrobenzylidene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H17F3N6O5S |
| InChI |
InChI=1S/C21H17F3N6O5S/c1-34-18(31)17(28-35-2)16-9-4-3-7-14(16)12-36-20-27-26-19(21(22,23)24)29(20)25-11-13-6-5-8-15(10-13)30(32)33/h3-11H,12H2,1-2H3/b25-11+,28-17+ |
| InChIKey |
RYHIRNAZSXZDGJ-QADRPSEISA-N |
| Molecular Weight |
522.459 g/mol |
| SMILES |
c1([n](c(nn1)SCc1c(\C(C(=O)OC)=N/OC)cccc1)\N=C\c1cc(N(=O)=O)ccc1)C(F)(F)F |
| SPLASH |
splash10-0a4i-4790000000-a8308ff2dd30160ec354 |
| Source of Spectrum |
Y-51-1347-3i |
| Wiley ID |
1741517 |
![4-(3-Nitrobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole](/api/spectrum/4lXBTC2wDvD/structure.png?h=300&w=458 "4-(3-Nitrobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole")
