| SpectraBase Spectrum ID |
5dvOUtYB6F9 |
| Name |
2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.240247523 u |
| Formula |
C30H34N4O2S |
| InChI |
InChI=1S/C30H34N4O2S/c1-20-8-13-24(14-9-20)34-27(18-36-25-15-11-23(12-16-25)30(4,5)6)32-33-29(34)37-19-28(35)31-26-17-21(2)7-10-22(26)3/h7-17H,18-19H2,1-6H3,(H,31,35) |
| InChIKey |
CXHCJODXNATUOF-UHFFFAOYSA-N |
| Molecular Weight |
514.688 g/mol |
| SMILES |
N(C=1C(=CC=C(C1)C)C)C(CSC=1N(C(=NN1)COC=1C=CC(C(C)(C)C)=CC1)C=1C=CC(=CC1)C)=O |
![2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide](/api/spectrum/5dvOUtYB6F9/structure.png?h=300&w=458 "2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide")
