| SpectraBase Spectrum ID |
IeAmZtfQ2o6 |
| Name |
4-[2-(4-allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N4O3S2 |
| InChI |
InChI=1S/C20H20N4O3S2/c1-3-10-24-18(15-9-11-28-12-15)22-23-20(24)29-13-17(25)21-16-7-5-14(6-8-16)19(26)27-4-2/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,21,25) |
| InChIKey |
QUAGNGNRNKJLKO-UHFFFAOYSA-N |
| Molecular Weight |
428.525 g/mol |
| SMILES |
N(C(CSc1[n](c(nn1)-c1cscc1)CC=C)=O)c1ccc(C(=O)OCC)cc1 |
| SPLASH |
splash10-01ox-1980000000-50d03bd14aca29fe3757 |
| Synonyms |
Ethyl 4-[({[4-allyl-5-(3-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate |
| Wiley ID |
1460779 |
![4-[2-(4-allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester](/api/spectrum/IeAmZtfQ2o6/structure.png?h=300&w=458 "4-[2-(4-allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester")
