![1H-1,2,4-triazole-5-acetamide, 3-(4-pyridinyl)-N-[2-(2-thienyl)ethyl]-](/api/spectrum/HcJJwaUCqyD/structure.png?h=300&w=458 "1H-1,2,4-triazole-5-acetamide, 3-(4-pyridinyl)-N-[2-(2-thienyl)ethyl]-")
| SpectraBase Compound ID | 8d0x7j4iYdC |
|---|---|
| InChI | InChI=1S/C15H15N5OS/c21-14(17-8-5-12-2-1-9-22-12)10-13-18-15(20-19-13)11-3-6-16-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,17,21)(H,18,19,20) |
| InChIKey | PVJGYXGXCFAAKB-UHFFFAOYSA-N |
| Mol Weight | 313.38 g/mol |
| Molecular Formula | C15H15N5OS |
| Exact Mass | 313.099731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcJJwaUCqyD |
|---|---|
| Name | 1H-1,2,4-Triazole-5-acetamide, 3-(4-pyridinyl)-N-[2-(2-thienyl)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.099731296 u |
| Formula | C15H15N5OS |
| InChI | InChI=1S/C15H15N5OS/c21-14(17-8-5-12-2-1-9-22-12)10-13-18-15(20-19-13)11-3-6-16-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,17,21)(H,18,19,20) |
| InChIKey | PVJGYXGXCFAAKB-UHFFFAOYSA-N |
| SMILES | N1N=C(N=C1CC(=O)NCCC=1SC=CC1)C=1C=CN=CC1 |