| SpectraBase Spectrum ID |
IAw3k5DGBP2 |
| Name |
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.960372895 u |
| Formula |
C16H12BrClN4OS |
| InChI |
InChI=1S/C16H12BrClN4OS/c1-23-14-7-6-10(8-12(14)17)9-19-22-15(20-21-16(22)24)11-4-2-3-5-13(11)18/h2-9H,1H3,(H,21,24)/b19-9+ |
| InChIKey |
IVBFFFBVKTZVEU-DJKKODMXSA-N |
| Molecular Weight |
423.716 g/mol |
| SMILES |
SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C=1C=C(Br)C(=CC1)OC |
![4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol](/api/spectrum/IAw3k5DGBP2/structure.png?h=300&w=458 "4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol")
