![4-bromo-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide](/api/spectrum/G5kPdv1NUcf/structure.png?h=300&w=458 "4-bromo-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide")
| SpectraBase Compound ID | JslI7vDnnrH |
|---|---|
| InChI | InChI=1S/C14H9BrN4OS/c15-11-5-3-9(4-6-11)12(20)17-14-19-18-13(21-14)10-2-1-7-16-8-10/h1-8H,(H,17,19,20) |
| InChIKey | LOMOQGLHBQJCAB-UHFFFAOYSA-N |
| Mol Weight | 361.22 g/mol |
| Molecular Formula | C14H9BrN4OS |
| Exact Mass | 359.968045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5kPdv1NUcf |
|---|---|
| Name | 4-Bromo-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.968045099 u |
| Formula | C14H9BrN4OS |
| InChI | InChI=1S/C14H9BrN4OS/c15-11-5-3-9(4-6-11)12(20)17-14-19-18-13(21-14)10-2-1-7-16-8-10/h1-8H,(H,17,19,20) |
| InChIKey | LOMOQGLHBQJCAB-UHFFFAOYSA-N |
| Molecular Weight | 361.217 g/mol |
| SMILES | N(C=1SC(=NN1)C=1C=NC=CC1)C(C1=CC=C(C=C1)Br)=O |