| SpectraBase Spectrum ID |
1JSF0IIg5hj |
| Name |
Ethyl 4-azido-1-(4-chlorophenyl)-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazol-5-carboxylate |
| Appearance |
Pale yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H19ClN8O2S |
| InChI |
InChI=1S/C22H19ClN8O2S/c1-3-33-21(32)19-17(25-29-24)18(28-31(19)16-12-10-14(23)11-13-16)20-26-27-22(34-4-2)30(20)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3 |
| InChIKey |
ZPDNUYCQPLXKME-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
494.961 g/mol |
| SMILES |
c1(n[n](c(c1N=[N+]=[N-])C(=O)OCC)-c1ccc(cc1)Cl)-c1nnc([n]1-c1ccccc1)SCC |
| SPLASH |
splash10-02vi-8930600000-301c8bf529891ca684ab |
| Source of Spectrum |
Y-53-1165-8c |
| Wiley ID |
1876489 |
