| SpectraBase Spectrum ID |
3vwGQH37kYQ |
| Name |
4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-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 |
376.056088123 u |
| Formula |
C17H14ClFN4OS |
| InChI |
InChI=1S/C17H14ClFN4OS/c1-2-24-12-8-6-11(7-9-12)16-21-22-17(25)23(16)20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,22,25)/b20-10+ |
| InChIKey |
VPPZJNOJMSARKK-KEBDBYFISA-N |
| Molecular Weight |
376.837 g/mol |
| SMILES |
SC=1N(C(=NN1)C1=CC=C(C=C1)OCC)\N=C\C1=C(F)C=CC=C1Cl |
![4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol](/api/spectrum/3vwGQH37kYQ/structure.png?h=300&w=458 "4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol")
