| SpectraBase Spectrum ID |
6KTAUhqqSAc |
| Name |
3-(Butylsulfanyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.057979830 u |
| Formula |
C14H14ClF3N4S |
| InChI |
InChI=1S/C14H14ClF3N4S/c1-2-3-7-23-14-21-20-13(12(17)18)22(14)19-8-9-10(15)5-4-6-11(9)16/h4-6,8,12H,2-3,7H2,1H3/b19-8+ |
| InChIKey |
IOGJQDUCFHUJKX-UFWORHAWSA-N |
| Molecular Weight |
362.802 g/mol |
| SMILES |
CCCCSC=1N(C(=NN1)C(F)F)\N=C\C=1C(F)=CC=CC1Cl |
![3-(butylsulfanyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine](/api/spectrum/6KTAUhqqSAc/structure.png?h=300&w=458 "3-(butylsulfanyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine")
