| SpectraBase Spectrum ID |
81JWZz9o8FK |
| Name |
3-((4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl) thio)-4-hydroxy-2H-chromen-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11N5O3S |
| InChI |
InChI=1S/C16H11N5O3S/c17-21-14(9-5-7-18-8-6-9)19-20-16(21)25-13-12(22)10-3-1-2-4-11(10)24-15(13)23/h1-8,22H,17H2 |
| InChIKey |
RSGBBAABTXQALN-UHFFFAOYSA-N |
| Instrument Name |
Agilent technologies HP 5937 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202200043 |
| Molecular Weight |
353.356 g/mol |
| SMILES |
N[n]1c(SC2=C(c3c(OC2=O)cccc3)O)nnc1-c1ccncc1 |
| SPLASH |
splash10-00fr-3923000000-a04d53bdbb0f9531fd46 |
| Source of Spectrum |
CBD-19-SM35-8h |
| Wiley ID |
1880590 |
