| SpectraBase Spectrum ID |
9ifegKdkbef |
| Name |
2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.230076761 u |
| Formula |
C30H34N4O4S |
| InChI |
InChI=1S/C30H34N4O4S/c1-20-8-7-9-22(16-20)34-27(18-38-23-12-10-21(11-13-23)30(2,3)4)32-33-29(34)39-19-28(35)31-25-17-24(36-5)14-15-26(25)37-6/h7-17H,18-19H2,1-6H3,(H,31,35) |
| InChIKey |
RENGLIKTOQNGKS-UHFFFAOYSA-N |
| Molecular Weight |
546.686 g/mol |
| SMILES |
N(C1=CC(OC)=CC=C1OC)C(CSC=1N(C(=NN1)COC1=CC=C(C(C)(C)C)C=C1)C=1C=C(C)C=CC1)=O |
![2-{[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide](/api/spectrum/9ifegKdkbef/structure.png?h=300&w=458 "2-{[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide")
