| SpectraBase Spectrum ID |
BznB6aVZ3XD |
| Name |
Methyl (2Z)-[(2-chlorophenyl)hydrazono][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.086973712 u |
| Formula |
C23H18ClN5O2S |
| InChI |
InChI=1S/C23H18ClN5O2S/c1-31-22(30)21(27-25-19-15-9-8-14-18(19)24)32-23-28-26-20(16-10-4-2-5-11-16)29(23)17-12-6-3-7-13-17/h2-15,25H,1H3/b27-21- |
| InChIKey |
BEFYJFHEIFDEDD-MEFGMAGPSA-N |
| Molecular Weight |
463.943 g/mol |
| SMILES |
N(\N=C\(SC=1N(C(C=2C=CC=CC2)=NN1)C=1C=CC=CC1)C(=O)OC)C=1C(Cl)=CC=CC1 |