| SpectraBase Compound ID | 6fbXenTvvPz |
|---|---|
| InChI | InChI=1S/C10H10BrN5OS/c1-16-6-13-15-10(16)18-5-9(17)14-8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,12,14,17) |
| InChIKey | VCXQCUXGWYRGTA-UHFFFAOYSA-N |
| Mol Weight | 328.19 g/mol |
| Molecular Formula | C10H10BrN5OS |
| Exact Mass | 326.978944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvCG0BvfXlq |
|---|---|
| Name | Acetamide, 2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(5-bromo-2-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.978944135 u |
| Formula | C10H10BrN5OS |
| InChI | InChI=1S/C10H10BrN5OS/c1-16-6-13-15-10(16)18-5-9(17)14-8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,12,14,17) |
| InChIKey | VCXQCUXGWYRGTA-UHFFFAOYSA-N |
| Molecular Weight | 328.188 g/mol |
| SMILES | C1=C(Br)C=NC(=C1)NC(CSC=1N(C=NN1)C)=O |