| SpectraBase Spectrum ID |
BkWUn7YMzoW |
| Name |
N-(4-Ethylphenyl)-2-[[5-(3-nitrophenyl)-1H-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 |
383.105210598 u |
| Formula |
C18H17N5O3S |
| InChI |
InChI=1S/C18H17N5O3S/c1-2-12-6-8-14(9-7-12)19-16(24)11-27-18-20-17(21-22-18)13-4-3-5-15(10-13)23(25)26/h3-10H,2,11H2,1H3,(H,19,24)(H,20,21,22) |
| InChIKey |
OVTAQUPJXSPASD-UHFFFAOYSA-N |
| Molecular Weight |
383.426 g/mol |
| SMILES |
CCC1=CC=C(NC(CSC2=NC(=NN2)C=2C=C(N(=O)=O)C=CC2)=O)C=C1 |
![N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide](/api/spectrum/BkWUn7YMzoW/structure.png?h=300&w=458 "N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide")
