| SpectraBase Spectrum ID |
Csv3K16QA1g |
| Name |
8H-Pyrazolo[1,5-D][1,2,4]triazepine-8-thione, 3,3A,4,7-tetrahydro-2,3A,5-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.140867834 u |
| Formula |
C24H20N4S |
| InChI |
InChI=1S/C24H20N4S/c29-23-26-25-21(18-10-4-1-5-11-18)16-24(20-14-8-3-9-15-20)17-22(27-28(23)24)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,29) |
| InChIKey |
XKKLOAMIAWGWGF-UHFFFAOYSA-N |
| Molecular Weight |
396.512 g/mol |
| SMILES |
C12(N(N=C(C2)C=2C=CC=CC2)C(NN=C(C1)C=1C=CC=CC1)=S)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948466 |
![8H-Pyrazolo[1,5-d][1,2,4]triazepine-8-thione, 3,3a,4,7-tetrahydro-2,3a,5-triphenyl-](/api/spectrum/Csv3K16QA1g/structure.png?h=300&w=458 "8H-Pyrazolo[1,5-d][1,2,4]triazepine-8-thione, 3,3a,4,7-tetrahydro-2,3a,5-triphenyl-")
