![3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione](/api/spectrum/KtkH7Cy0sOp/structure.png?h=300&w=458 "3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione")
| SpectraBase Compound ID | 2yaHeGK43vm |
|---|---|
| InChI | InChI=1S/C13H11N3O2S2/c1-8-14-15-13(19-8)20-10-7-11(17)16(12(10)18)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3 |
| InChIKey | IZIIQLZMOJRLLM-UHFFFAOYSA-N |
| Mol Weight | 305.37 g/mol |
| Molecular Formula | C13H11N3O2S2 |
| Exact Mass | 305.029269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtkH7Cy0sOp |
|---|---|
| Name | 3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.029268952 u |
| Formula | C13H11N3O2S2 |
| InChI | InChI=1S/C13H11N3O2S2/c1-8-14-15-13(19-8)20-10-7-11(17)16(12(10)18)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3 |
| InChIKey | IZIIQLZMOJRLLM-UHFFFAOYSA-N |
| Molecular Weight | 305.370 g/mol |
| SMILES | C=1C=CC(N2C(CC(C2=O)SC=2SC(C)=NN2)=O)=CC1 |