![6-phenyl-3-(3-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/D0jzi5rBURa/structure.png?h=300&w=458 "6-phenyl-3-(3-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine")
| SpectraBase Compound ID | FbNEGAZAjKS |
|---|---|
| InChI | InChI=1S/C15H11N5S/c1-2-5-11(6-3-1)13-10-21-15-18-17-14(20(15)19-13)12-7-4-8-16-9-12/h1-9H,10H2 |
| InChIKey | NZJZSQHLGGGFJH-UHFFFAOYSA-N |
| Mol Weight | 293.35 g/mol |
| Molecular Formula | C15H11N5S |
| Exact Mass | 293.073517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0jzi5rBURa |
|---|---|
| Name | 6-Phenyl-3-(3-pyridinyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.073516548 u |
| Formula | C15H11N5S |
| InChI | InChI=1S/C15H11N5S/c1-2-5-11(6-3-1)13-10-21-15-18-17-14(20(15)19-13)12-7-4-8-16-9-12/h1-9H,10H2 |
| InChIKey | NZJZSQHLGGGFJH-UHFFFAOYSA-N |
| Molecular Weight | 293.348 g/mol |
| SMILES | C=1C=CC(C2=NN3C(=NN=C3SC2)C=2C=NC=CC2)=CC1 |