| SpectraBase Spectrum ID |
ETPU9ESGFPX |
| Name |
2-[(4-Amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.080058478 u |
| Formula |
C15H13N7O3S |
| InChI |
InChI=1S/C15H13N7O3S/c16-21-14(10-3-2-6-17-8-10)19-20-15(21)26-9-13(23)18-11-4-1-5-12(7-11)22(24)25/h1-8H,9,16H2,(H,18,23) |
| InChIKey |
DJLAJWUVGLMGCG-UHFFFAOYSA-N |
| Molecular Weight |
371.375 g/mol |
| SMILES |
C1=CN=CC(C=2N(C(=NN2)SCC(NC=2C=C(N(=O)=O)C=CC2)=O)N)=C1 |
![2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide](/api/spectrum/ETPU9ESGFPX/structure.png?h=300&w=458 "2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide")
