![N-(5-[(2-Phenylethyl)sulfanyl]-1H-1,2,4-triazol-3-yl)acetamide](/api/spectrum/B3U3hMEDyIn/structure.png?h=300&w=458 "N-(5-[(2-Phenylethyl)sulfanyl]-1H-1,2,4-triazol-3-yl)acetamide")
| SpectraBase Compound ID | BI9eYpt7Xy9 |
|---|---|
| InChI | InChI=1S/C12H14N4OS/c1-9(17)13-11-14-12(16-15-11)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17) |
| InChIKey | NTMAWJXCFZIAMF-UHFFFAOYSA-N |
| Mol Weight | 262.33 g/mol |
| Molecular Formula | C12H14N4OS |
| Exact Mass | 262.088832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3U3hMEDyIn |
|---|---|
| Name | 1,2,4-Triazole, 3-acetylamino-5-(2-phenylethylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.088832260 u |
| Formula | C12H14N4OS |
| InChI | InChI=1S/C12H14N4OS/c1-9(17)13-11-14-12(16-15-11)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,15,16,17) |
| InChIKey | NTMAWJXCFZIAMF-UHFFFAOYSA-N |
| Molecular Weight | 262.331 g/mol |
| SMILES | C1=CC=C(C=C1)CCSC1=NC(=NN1)NC(=O)C |