| SpectraBase Spectrum ID |
BzAPWHnBW8k |
| Name |
Acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methyl-2-thienyl)methylidene]hydrazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.013615567 u |
| Formula |
C22H18BrN5OS2 |
| InChI |
InChI=1S/C22H18BrN5OS2/c1-15-11-12-30-19(15)13-24-25-20(29)14-31-22-27-26-21(16-7-9-17(23)10-8-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)/b24-13+ |
| InChIKey |
XPVYFKVOUXHESF-ZMOGYAJESA-N |
| Molecular Weight |
512.444 g/mol |
| SMILES |
N(\N=C\C1=C(C=CS1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Br)C1=CC=CC=C1)=O |
![acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methyl-2-thienyl)methylidene]hydrazide](/api/spectrum/BzAPWHnBW8k/structure.png?h=300&w=458 "acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methyl-2-thienyl)methylidene]hydrazide")
