| SpectraBase Spectrum ID |
7bqaCKLrifh |
| Name |
Acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-methoxyphenyl)methylidene]hydrazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.157246173 u |
| Formula |
C25H23N5O2S |
| InChI |
InChI=1S/C25H23N5O2S/c1-18-12-14-21(15-13-18)30-24(19-8-4-3-5-9-19)28-29-25(30)33-17-23(31)27-26-16-20-10-6-7-11-22(20)32-2/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+ |
| InChIKey |
ZMMQUGVMBXFVIZ-WGOQTCKBSA-N |
| Molecular Weight |
457.552 g/mol |
| SMILES |
N(\N=C\C=1C(OC)=CC=CC1)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C=1C=CC(=CC1)C)=O |