| SpectraBase Spectrum ID |
HXx40YS9kPx |
| Name |
(4Z)-4-(3-Methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-phenyl-3,5-pyrazolidinedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.145678431 u |
| Formula |
C26H24N2O4S |
| InChI |
InChI=1S/C26H24N2O4S/c1-18-8-11-21(12-9-18)33-15-14-32-23-13-10-19(17-24(23)31-2)16-22-25(29)27-28(26(22)30)20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)/b22-16- |
| InChIKey |
HJEMEBYLGQZGIG-JWGURIENSA-N |
| Molecular Weight |
460.548 g/mol |
| SMILES |
N1N(C(\C(C1=O)=C\C=1C=C(OC)C(=CC1)OCCSC=1C=CC(=CC1)C)=O)C1=CC=CC=C1 |
![(4Z)-4-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-phenyl-3,5-pyrazolidinedione](/api/spectrum/HXx40YS9kPx/structure.png?h=300&w=458 "(4Z)-4-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-phenyl-3,5-pyrazolidinedione")
