![acetamide, N-[5-[[(2-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-](/api/spectrum/5x0eoWbdJt3/structure.png?h=300&w=458 "acetamide, N-[5-[[(2-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-")
| SpectraBase Compound ID | AxXyOPs5KVb |
|---|---|
| InChI | InChI=1S/C11H10ClN3OS2/c1-7(16)13-10-14-15-11(18-10)17-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,14,16) |
| InChIKey | LMOXERXFNGAGTD-UHFFFAOYSA-N |
| Mol Weight | 299.79 g/mol |
| Molecular Formula | C11H10ClN3OS2 |
| Exact Mass | 298.995382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x0eoWbdJt3 |
|---|---|
| Name | Acetamide, N-[5-[[(2-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.995382001 u |
| Formula | C11H10ClN3OS2 |
| InChI | InChI=1S/C11H10ClN3OS2/c1-7(16)13-10-14-15-11(18-10)17-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,14,16) |
| InChIKey | LMOXERXFNGAGTD-UHFFFAOYSA-N |
| Molecular Weight | 299.794 g/mol |
| SMILES | N(C=1SC(SCC2=C(Cl)C=CC=C2)=NN1)C(=O)C |