| SpectraBase Spectrum ID |
DNf5g5ToL0c |
| Name |
4-(3-Chlorobenzimido)-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 |
C21H17ClF3N5O3S |
| InChI |
InChI=1S/C21H17ClF3N5O3S/c1-32-18(31)17(29-33-2)16-9-4-3-7-14(16)12-34-20-28-27-19(21(23,24)25)30(20)26-11-13-6-5-8-15(22)10-13/h3-11H,12H2,1-2H3/b26-11+,29-17+ |
| InChIKey |
WYDWPDVCMNBKRP-DUOGVDFRSA-N |
| Molecular Weight |
511.907 g/mol |
| SMILES |
c1([n](c(nn1)SCc1c(\C(C(=O)OC)=N/OC)cccc1)\N=C\c1cc(Cl)ccc1)C(F)(F)F |
| SPLASH |
splash10-0a4i-5790000000-0d6e18723340f650ca13 |
| Source of Spectrum |
Y-51-1347-3h |
| Synonyms |
(E)-methyl 2-(2-(((4-((E)-(3-chlorobenzylidene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)-2-(methoxyimino)acetate |
| Wiley ID |
1741518 |
![4-(3-Chlorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole](/api/spectrum/DNf5g5ToL0c/structure.png?h=300&w=458 "4-(3-Chlorobenzimido)-3-S-[2-(methoxyimino)(methoxycarbonyl)methyl]benzylmercapto-5-(trifluoromethyl)-1,2,4-triazole")
