| SpectraBase Spectrum ID |
CZ8e1USWleh |
| Name |
4-[[1-oxo-2-[(4-Prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.113332929 u |
| Formula |
C21H22N4O3S2 |
| InChI |
InChI=1S/C21H22N4O3S2/c1-4-11-25-19(17-6-5-12-29-17)23-24-21(25)30-13-18(26)22-16-9-7-15(8-10-16)20(27)28-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,22,26) |
| InChIKey |
FETGTADJWBXPAL-UHFFFAOYSA-N |
| Molecular Weight |
442.552 g/mol |
| SMILES |
CC(OC(C=1C=CC(NC(CSC=2N(C(=NN2)C=2SC=CC2)CC=C)=O)=CC1)=O)C |
![4-[[1-oxo-2-[(4-Prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester](/api/spectrum/CZ8e1USWleh/structure.png?h=300&w=458 "4-[[1-oxo-2-[(4-Prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester")
