![2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide](/api/spectrum/HaPEc2QadDp/structure.png?h=300&w=458 "2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide")
| SpectraBase Compound ID | ARenynrev15 |
|---|---|
| InChI | InChI=1S/C7H8N6OS2/c1-5-10-11-7(16-5)15-2-6(14)12-13-3-8-9-4-13/h3-4H,2H2,1H3,(H,12,14) |
| InChIKey | PQNSHKHRBDKLMQ-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C7H8N6OS2 |
| Exact Mass | 256.020101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaPEc2QadDp |
|---|---|
| Name | 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.020101249 u |
| Formula | C7H8N6OS2 |
| InChI | InChI=1S/C7H8N6OS2/c1-5-10-11-7(16-5)15-2-6(14)12-13-3-8-9-4-13/h3-4H,2H2,1H3,(H,12,14) |
| InChIKey | PQNSHKHRBDKLMQ-UHFFFAOYSA-N |
| Molecular Weight | 256.302 g/mol |
| SMILES | N(N1C=NN=C1)C(CSC=1SC(=NN1)C)=O |