| SpectraBase Compound ID | AwNn3OCmP0c |
|---|---|
| InChI | InChI=1S/C15H14N4S/c1-20-15-18-17-14(13-9-5-6-10-16-13)19(15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey | UYOSFZPKHZDTON-UHFFFAOYSA-N |
| Mol Weight | 282.37 g/mol |
| Molecular Formula | C15H14N4S |
| Exact Mass | 282.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdeI8ZjrO67 |
|---|---|
| Name | 2-(4-Benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.093917641 u |
| Formula | C15H14N4S |
| InChI | InChI=1S/C15H14N4S/c1-20-15-18-17-14(13-9-5-6-10-16-13)19(15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey | UYOSFZPKHZDTON-UHFFFAOYSA-N |
| SMILES | C=1(N(C(=NN1)SC)CC=1C=CC=CC1)C1=NC=CC=C1 |