| SpectraBase Spectrum ID |
L03JUZCAL8S |
| Name |
Methyl 4-(3-methyl-1H-pyrazol-5-yl)-5-oxo-3-thioxo-3,4,5,6-tetrahydro-2H-1,2,4,-triazepine-7-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H11N5O3S |
| InChI |
InChI=1S/C10H11N5O3S/c1-5-3-7(13-11-5)15-8(16)4-6(9(17)18-2)12-14-10(15)19/h3H,4H2,1-2H3,(H,11,13)(H,14,19) |
| InChIKey |
ZZSXBLAMZQLSKR-UHFFFAOYSA-N |
| Literature Reference DOI |
10.3184/174751914X13862607015688 |
| Molecular Weight |
281.290 g/mol |
| SMILES |
N1C(N(c2cc(n[nH]2)C)C(CC(=N1)C(=O)OC)=O)=S |
| SPLASH |
splash10-06z9-1590000000-0a6350a8422c45922829 |
| Source of Spectrum |
JCR-38-31-5a |
| Synonyms |
Methyl 4-(3-methyl-1H-pyrazol-5-yl)-5-oxo-3-thioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine-7-carboxylate |
| Wiley ID |
1746375 |
