| SpectraBase Spectrum ID |
8tTVGzCdMJ1 |
| Name |
({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}sulfanyl)acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.055483700 u |
| Formula |
C14H15N3O3S2 |
| InChI |
InChI=1S/C14H15N3O3S2/c1-9-12(15-14(21)22-8-11(18)19)13(20)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,21)(H,18,19) |
| InChIKey |
HMQZQABPKUECKR-UHFFFAOYSA-N |
| Molecular Weight |
337.412 g/mol |
| SMILES |
N(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C(SCC(=O)O)=S |
![({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}sulfanyl)acetic acid](/api/spectrum/8tTVGzCdMJ1/structure.png?h=300&w=458 "({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}sulfanyl)acetic acid")
