| SpectraBase Spectrum ID |
JS9oodSQ4iu |
| Name |
1,2,4-Triazolo[4,3-A]-13H-(4,5)(6,7)-dibenzo[1,3]diazepine-3(2H)-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.062617512 u |
| Formula |
C14H10N4S |
| InChI |
InChI=1S/C14H10N4S/c19-14-17-16-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18(13)14/h1-8H,(H,15,16)(H,17,19) |
| InChIKey |
BNQGVGBIHFOSDX-UHFFFAOYSA-N |
| Molecular Weight |
266.322 g/mol |
| SMILES |
C1=2N(C(NN2)=S)C2=C(C=3C=CC=CC3N1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852556 |
![1,2,4-Triazolo[4,3-a]-13H-(4,5)(6,7)-dibenzo[1,3]diazepine-3(2H)-thione](/api/spectrum/JS9oodSQ4iu/structure.png?h=300&w=458 "1,2,4-Triazolo[4,3-a]-13H-(4,5)(6,7)-dibenzo[1,3]diazepine-3(2H)-thione")
