| SpectraBase Spectrum ID |
ATummirPi0D |
| Name |
(4-Amino-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-yl)(4-bromophenyl)methanone |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H21BrN6OS |
| InChI |
InChI=1S/C26H21BrN6OS/c1-2-35-26-30-29-25(32(26)19-9-5-3-6-10-19)22-21(28)23(24(34)17-13-15-18(27)16-14-17)33(31-22)20-11-7-4-8-12-20/h3-16H,2,28H2,1H3 |
| InChIKey |
ODBVVWZKOURMLV-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
545.459 g/mol |
| SMILES |
Nc1c(n[n](c1C(=O)c1ccc(cc1)Br)-c1ccccc1)-c1nnc([n]1-c1ccccc1)SCC |
| SPLASH |
splash10-056s-9871040000-e68bbf90bc9ab6b1cf65 |
| Source of Spectrum |
Y-53-1164-6d |
| Wiley ID |
1876485 |
