![2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/FDIjqBS63BF/structure.png?h=300&w=458 "2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
| SpectraBase Compound ID | HCbsGCN458s |
|---|---|
| InChI | InChI=1S/C15H14N4O2S/c16-13(20)10-22-15-18-17-14(11-5-2-1-3-6-11)19(15)9-12-7-4-8-21-12/h1-8H,9-10H2,(H2,16,20) |
| InChIKey | MIMHVPPURNCPRR-UHFFFAOYSA-N |
| Mol Weight | 314.36 g/mol |
| Molecular Formula | C15H14N4O2S |
| Exact Mass | 314.083747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDIjqBS63BF |
|---|---|
| Name | 2-{[4-(2-Furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.083746879 u |
| Formula | C15H14N4O2S |
| InChI | InChI=1S/C15H14N4O2S/c16-13(20)10-22-15-18-17-14(11-5-2-1-3-6-11)19(15)9-12-7-4-8-21-12/h1-8H,9-10H2,(H2,16,20) |
| InChIKey | MIMHVPPURNCPRR-UHFFFAOYSA-N |
| SMILES | NC(CSC=1N(C(=NN1)C1=CC=CC=C1)CC=1OC=CC1)=O |