| SpectraBase Spectrum ID |
B7M1VqINl4P |
| Name |
3H-1,2,4-Triazole-3-thione, 5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.109233352 u |
| Formula |
C17H17N3OS |
| InChI |
InChI=1S/C17H17N3OS/c1-12-7-6-8-13(2)16(12)21-11-15-18-19-17(22)20(15)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,19,22) |
| InChIKey |
LWXUOBXLPCBGRG-UHFFFAOYSA-N |
| Molecular Weight |
311.403 g/mol |
| SMILES |
C1(=S)N(C(=NN1)COC1=C(C=CC=C1C)C)C1=CC=CC=C1 |
![3H-1,2,4-Triazole-3-thione, 5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-](/api/spectrum/B7M1VqINl4P/structure.png?h=300&w=458 "3H-1,2,4-Triazole-3-thione, 5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-")
