| SpectraBase Spectrum ID |
3FTqcoURBbx |
| Name |
N-(4-Butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.154324997 u |
| Formula |
C23H27ClN4O2S |
| InChI |
InChI=1S/C23H27ClN4O2S/c1-3-5-6-17-7-11-19(12-8-17)25-22(29)16-31-23-27-26-21(28(23)4-2)15-30-20-13-9-18(24)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,25,29) |
| InChIKey |
UCPUTWSOFDOIIO-UHFFFAOYSA-N |
| Molecular Weight |
459.008 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)Cl)CC)=O)C=1C=CC(=CC1)CCCC |
![N-(4-butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide](/api/spectrum/3FTqcoURBbx/structure.png?h=300&w=458 "N-(4-butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide")
