| SpectraBase Spectrum ID |
Cq9bovXCbnO |
| Name |
Methyl 5-oxo-4-(3-phenyl-1H-pyrazol-5-yl)-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 |
C15H13N5O3S |
| InChI |
InChI=1S/C15H13N5O3S/c1-23-14(22)11-8-13(21)20(15(24)19-17-11)12-7-10(16-18-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,18)(H,19,24) |
| InChIKey |
URXKNNDASFKVOZ-UHFFFAOYSA-N |
| Literature Reference DOI |
10.3184/174751914X13862607015688 |
| Molecular Weight |
343.361 g/mol |
| SMILES |
N1C(N(c2[nH]nc(c2)-c2ccccc2)C(CC(C(=O)OC)=N1)=O)=S |
| SPLASH |
splash10-0096-6169000000-6934f9a2e96e6c088d56 |
| Source of Spectrum |
JCR-38-31-5b |
| Wiley ID |
1746376 |
