| SpectraBase Spectrum ID |
GmbsEM7BYqx |
| Name |
3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-D]-1,2,3-triazin-4(3H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.079330203 u |
| Formula |
C21H12N6OS |
| InChI |
InChI=1S/C21H12N6OS/c22-11-12-27-21(28)19-18(24-26-27)16-15(13-7-3-1-4-8-13)17(23-25-20(16)29-19)14-9-5-2-6-10-14/h1-10H,12H2 |
| InChIKey |
ZDZRTGLJYIATCS-UHFFFAOYSA-N |
| Molecular Weight |
396.428 g/mol |
| SMILES |
C12=C(C3=C(C(C4=CC=CC=C4)=NN=C3S1)C=1C=CC=CC1)N=NN(C2=O)CC#N |
![3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-d]-1,2,3-triazin-4(3H)-one](/api/spectrum/GmbsEM7BYqx/structure.png?h=300&w=458 "3-Cyanomethyl-8,9-diphenylpyridazino[4',3' : 4,5]thieno[3,2-d]-1,2,3-triazin-4(3H)-one")
