| SpectraBase Spectrum ID |
3SBmd0mr6A1 |
| Name |
Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.057194457 u |
| Formula |
C20H20BrN5OS |
| InChI |
InChI=1S/C20H20BrN5OS/c1-3-26-19(15-8-5-4-6-9-15)24-25-20(26)28-13-18(27)23-22-14(2)16-10-7-11-17(21)12-16/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-14+ |
| InChIKey |
ATIUJPFPXLALHO-HYARGMPZSA-N |
| Molecular Weight |
458.378 g/mol |
| SMILES |
N(\N=C\(C1=CC(Br)=CC=C1)C)C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC)=O |
![acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide](/api/spectrum/3SBmd0mr6A1/structure.png?h=300&w=458 "acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide")
