SpectraBase Spectrum ID |
KWPZeMALhw3 |
Name |
1,7-Diphenyl-3-(thiophene-2-carbonyl)-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H14N6O2S |
InChI |
InChI=1S/C21H14N6O2S/c28-18(16-12-7-13-30-16)19-24-26(15-10-5-2-6-11-15)21-23-22-17(20(29)27(21)25-19)14-8-3-1-4-9-14/h1-13H,(H,24,25) |
InChIKey |
IQIROOZCNVOCKI-UHFFFAOYSA-N |
Literature Reference DOI |
10.1002_(SICI)1521-3897(200001)342_1_96 |
Molecular Weight |
414.443 g/mol |
SMILES |
N1C(=NN(C2=NN=C(C(N12)=O)c1ccccc1)c1ccccc1)C(=O)c1sccc1 |
SPLASH |
splash10-03di-2901200000-c13c8af48e85efff18e5 |
Source of Spectrum |
JF-342-99-10m |
Wiley ID |
1766881 |