| SpectraBase Spectrum ID |
B3JBuym4GSO |
| Name |
3-(2-(4-Amino-5-mercapto-4H-1,2,4-triazol-3-yl)-4-oxo-4-(p-tolyl)but-1-en-1-yl)quinolin-2(1H)-one |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H19N5O2S |
| InChI |
InChI=1S/C22H19N5O2S/c1-13-6-8-14(9-7-13)19(28)12-16(20-25-26-22(30)27(20)23)11-17-10-15-4-2-3-5-18(15)24-21(17)29/h2-11H,12,23H2,1H3,(H,24,29)(H,26,30) |
| InChIKey |
RAUWCIDMEKIPSF-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific ISQ LT |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/jhet.4233 |
| Molecular Weight |
417.487 g/mol |
| SMILES |
N[n]1c(C(=CC=2C(Nc3c(C2)cccc3)=O)CC(c2ccc(cc2)C)=O)nnc1S |
| SPLASH |
splash10-01ow-3259000000-c64cb8f0a7ddfe42c996 |
| Source of Spectrum |
Y-58-SM32-13 |
| Wiley ID |
1880916 |
