| SpectraBase Spectrum ID |
ER2YYYcLVD7 |
| Name |
3H-1,2,4-Triazole-3-thione, 4-(4-bromophenyl)-2,4-dihydro-5-(3-pyridinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.973130480 u |
| Formula |
C13H9BrN4S |
| InChI |
InChI=1S/C13H9BrN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19) |
| InChIKey |
AZAMYMPZLIXBAJ-UHFFFAOYSA-N |
| Molecular Weight |
333.207 g/mol |
| SMILES |
C1(=S)N(C(=NN1)C1=CN=CC=C1)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846821 |
