| SpectraBase Spectrum ID |
7VYmpVetT3S |
| Name |
2-{[5-(4-Tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.172561884 u |
| Formula |
C23H26N4O3S |
| InChI |
InChI=1S/C23H26N4O3S/c1-23(2,3)16-7-5-15(6-8-16)21-25-26-22(27(21)4)31-14-20(28)24-17-9-10-18-19(13-17)30-12-11-29-18/h5-10,13H,11-12,14H2,1-4H3,(H,24,28) |
| InChIKey |
UJALBLWCNHUYCZ-UHFFFAOYSA-N |
| Molecular Weight |
438.546 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C)=O)C1=CC=2OCCOC2C=C1 |
![2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide](/api/spectrum/7VYmpVetT3S/structure.png?h=300&w=458 "2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide")
