| SpectraBase Spectrum ID |
3Y2GOlXLcOq |
| Name |
Ethyl 4-amino-1-(4-chlorophenyl)-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-5-carboxylate |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21ClN6O2S |
| InChI |
InChI=1S/C22H21ClN6O2S/c1-3-31-21(30)19-17(24)18(27-29(19)16-12-10-14(23)11-13-16)20-25-26-22(32-4-2)28(20)15-8-6-5-7-9-15/h5-13H,3-4,24H2,1-2H3 |
| InChIKey |
SUOPTVZXBPJHSH-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
468.963 g/mol |
| SMILES |
Nc1c(C(OCC)=O)[n](nc1-c1nnc([n]1-c1ccccc1)SCC)-c1ccc(cc1)Cl |
| SPLASH |
splash10-016r-5930700000-7f0837a5f0de0833b360 |
| Source of Spectrum |
Y-53-1163-6c |
| Wiley ID |
1876484 |
