| SpectraBase Spectrum ID |
7mnac06xeTo |
| Name |
N-(5-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.131031425 u |
| Formula |
C21H19N5OS |
| InChI |
InChI=1S/C21H19N5OS/c1-14-5-4-6-16(11-14)19(27)23-21-25-24-20(28-21)17(13-22)12-15-7-9-18(10-8-15)26(2)3/h4-12H,1-3H3,(H,23,25,27)/b17-12+ |
| InChIKey |
DTXDFPIFTSFBOC-SFQUDFHCSA-N |
| Molecular Weight |
389.477 g/mol |
| SMILES |
CC=1C=C(C(NC=2SC(\C(=C\C3=CC=C(C=C3)N(C)C)C#N)=NN2)=O)C=CC1 |
![N-(5-{(E)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide](/api/spectrum/7mnac06xeTo/structure.png?h=300&w=458 "N-(5-{(E)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl}-1,3,4-thiadiazol-2-yl)-3-methylbenzamide")
