| SpectraBase Spectrum ID |
LsL2DXUnTTV |
| Name |
Ethyl 4-azido-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-carboxylate |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20N8O2S |
| InChI |
InChI=1S/C22H20N8O2S/c1-3-32-21(31)19-17(24-28-23)18(27-30(19)16-13-9-6-10-14-16)20-25-26-22(33-4-2)29(20)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3 |
| InChIKey |
XHMXSMNWQCDOPJ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
460.516 g/mol |
| SMILES |
c1(-[n]2c(C(OCC)=O)c(N=[N+]=[N-])c(-c3[n](-c4ccccc4)c(SCC)nn3)n2)ccccc1 |
| SPLASH |
splash10-004l-9522000000-b9e68b0ff102e98e3046 |
| Source of Spectrum |
Y-53-1164-8a |
| Wiley ID |
1876487 |
