| SpectraBase Spectrum ID |
H9FtIqEZbMI |
| Name |
4-Azido-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)(4-bromophenyl)methanone |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H21BrN8OS |
| InChI |
InChI=1S/C27H21BrN8OS/c1-3-38-27-32-31-26(35(27)20-7-5-4-6-8-20)23-22(30-34-29)24(25(37)18-11-13-19(28)14-12-18)36(33-23)21-15-9-17(2)10-16-21/h4-16H,3H2,1-2H3 |
| InChIKey |
VCRQSZHMLLSQOA-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
585.484 g/mol |
| SMILES |
c1(n[n](c(c1N=[N+]=[N-])C(c1ccc(cc1)Br)=O)-c1ccc(cc1)C)-c1nnc([n]1-c1ccccc1)SCC |
| SPLASH |
splash10-056r-4920000000-0125ba5240badd7a9815 |
| Source of Spectrum |
Y-53-1165-8e |
| Wiley ID |
1876491 |
