| SpectraBase Spectrum ID |
1nMDXbAp7EB |
| Name |
4-Allyl-5-[(3,5-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.119798036 u |
| Formula |
C16H19N3O2S |
| InChI |
InChI=1S/C16H19N3O2S/c1-5-6-19-15(17-18-16(19)22-13(4)20)10-21-14-8-11(2)7-12(3)9-14/h5,7-9H,1,6,10H2,2-4H3 |
| InChIKey |
LDPLQUHMOCACFX-UHFFFAOYSA-N |
| Molecular Weight |
317.407 g/mol |
| SMILES |
C=1(SC(C)=O)N(C(=NN1)COC1=CC(=CC(=C1)C)C)CC=C |
![4-Allyl-5-[(3,5-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, acetate](/api/spectrum/1nMDXbAp7EB/structure.png?h=300&w=458 "4-Allyl-5-[(3,5-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, acetate")
