| SpectraBase Spectrum ID |
CEhju0MRXHG |
| Name |
3-(4-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6(5H)-one |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H23N7O2S |
| InChI |
InChI=1S/C35H23N7O2S/c43-33-26(20-27-22-40(28-14-8-3-9-15-28)38-31(27)24-12-6-2-7-13-24)21-30(23-10-4-1-5-11-23)41(33)29-18-16-25(17-19-29)32-36-37-34-42(32)39-35(44)45-34/h1-22H,(H,39,44) |
| InChIKey |
NIFGIGPBSIYDLK-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-MS QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2401 |
| Molecular Weight |
605.676 g/mol |
| SMILES |
N1C(Sc2[n]1c(nn2)-c1ccc(cc1)N1C(=CC(C1=O)=Cc1c[n](nc1-c1ccccc1)-c1ccccc1)c1ccccc1)=O |
| SPLASH |
splash10-0a4i-9330215000-ad905cf0b2ca64cc7e75 |
| Source of Spectrum |
Y-53-207-12 |
| Wiley ID |
1877584 |
![3-(4-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6(5H)-one](/api/spectrum/CEhju0MRXHG/structure.png?h=300&w=458 "3-(4-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6(5H)-one")
