![4H-1,2,4-triazole-3-thiol, 5-(4-methoxyphenyl)-4-[2-(4-morpholinyl)ethyl]-](/api/spectrum/3K1lDRNVBSx/structure.png?h=300&w=458 "4H-1,2,4-triazole-3-thiol, 5-(4-methoxyphenyl)-4-[2-(4-morpholinyl)ethyl]-")
| SpectraBase Compound ID | 2r3RtpDFIGS |
|---|---|
| InChI | InChI=1S/C15H20N4O2S/c1-20-13-4-2-12(3-5-13)14-16-17-15(22)19(14)7-6-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,17,22) |
| InChIKey | WTNIFQRGBHIRLG-UHFFFAOYSA-N |
| Mol Weight | 320.41 g/mol |
| Molecular Formula | C15H20N4O2S |
| Exact Mass | 320.130697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3K1lDRNVBSx |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 5-(4-methoxyphenyl)-4-[2-(4-morpholinyl)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.130697072 u |
| Formula | C15H20N4O2S |
| InChI | InChI=1S/C15H20N4O2S/c1-20-13-4-2-12(3-5-13)14-16-17-15(22)19(14)7-6-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,17,22) |
| InChIKey | WTNIFQRGBHIRLG-UHFFFAOYSA-N |
| SMILES | SC=1N(C(=NN1)C=1C=CC(=CC1)OC)CCN1CCOCC1 |