| SpectraBase Spectrum ID |
3AjNfteE2Qk |
| Name |
4-(4-Methoxyphenyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.166748229 u |
| Formula |
C25H25N3O2S |
| InChI |
InChI=1S/C25H25N3O2S/c1-18-4-8-20(9-5-18)17-31-25-27-26-24(16-30-23-12-6-19(2)7-13-23)28(25)21-10-14-22(29-3)15-11-21/h4-15H,16-17H2,1-3H3 |
| InChIKey |
VHFCUOAQNNKNPA-UHFFFAOYSA-N |
| Molecular Weight |
431.554 g/mol |
| SMILES |
COC=1C=CC(N2C(=NN=C2COC=2C=CC(=CC2)C)SCC2=CC=C(C=C2)C)=CC1 |
![4-(4-methoxyphenyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole](/api/spectrum/3AjNfteE2Qk/structure.png?h=300&w=458 "4-(4-methoxyphenyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole")
