| SpectraBase Spectrum ID |
5OihioMpZ5D |
| Name |
1-[4-oxo-4-Phenyl-2-({[(1-phenylethyl)amino]carbothioyl}sulfanyl)-2-butenoyl]benzene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.101371266 u |
| Formula |
C25H21NO2S2 |
| InChI |
InChI=1S/C25H21NO2S2/c1-18(19-11-5-2-6-12-19)26-25(29)30-23(24(28)21-15-9-4-10-16-21)17-22(27)20-13-7-3-8-14-20/h2-18H,1H3,(H,26,29)/b23-17- |
| InChIKey |
PEWWNLFICWGJKQ-QJOMJCCJSA-N |
| Molecular Weight |
431.568 g/mol |
| SMILES |
C(\C=C\(SC(NC(C=1C=CC=CC1)C)=S)C(=O)C=1C=CC=CC1)(=O)C1=CC=CC=C1 |
![1-[4-Oxo-4-phenyl-2-({[(1-phenylethyl)amino]carbothioyl}sulfanyl)-2-butenoyl]benzene](/api/spectrum/5OihioMpZ5D/structure.png?h=300&w=458 "1-[4-Oxo-4-phenyl-2-({[(1-phenylethyl)amino]carbothioyl}sulfanyl)-2-butenoyl]benzene")
