| SpectraBase Spectrum ID |
JUNYGhr9foR |
| Name |
2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.224597458 u |
| Formula |
C29H32N4O2S |
| InChI |
InChI=1S/C29H32N4O2S/c1-20-6-12-23(13-7-20)30-27(34)19-36-28-32-31-26(33(28)24-14-8-21(2)9-15-24)18-35-25-16-10-22(11-17-25)29(3,4)5/h6-17H,18-19H2,1-5H3,(H,30,34) |
| InChIKey |
ZDCVVLWEVVSNNY-UHFFFAOYSA-N |
| Molecular Weight |
500.661 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)COC=1C=CC(C(C)(C)C)=CC1)C=1C=CC(=CC1)C)=O)C1=CC=C(C=C1)C |
![2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide](/api/spectrum/JUNYGhr9foR/structure.png?h=300&w=458 "2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide")
