| SpectraBase Spectrum ID |
B3xQqubHCKm |
| Name |
2-Cyano-3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-(5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl) propenylamide |
| Appearance |
Beige crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H17N7O3S |
| InChI |
InChI=1S/C27H17N7O3S/c28-16-20(25(35)29-27-31-30-26(38-27)19-11-13-23(14-12-19)34(36)37)15-21-17-33(22-9-5-2-6-10-22)32-24(21)18-7-3-1-4-8-18/h1-15,17H,(H,29,31,35) |
| InChIKey |
AGZANGMGFINWLP-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific GCMS ISQ LT |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4168 |
| Molecular Weight |
519.539 g/mol |
| SMILES |
N(C(C(=Cc1c[n](nc1-c1ccccc1)-c1ccccc1)C#N)=O)c1nnc(s1)-c1ccc(cc1)[N+]([O-])=O |
| SPLASH |
splash10-01xt-9155200000-28a4effdabff9002613f |
| Source of Spectrum |
Y-58-301-22 |
| Wiley ID |
1879303 |
