| SpectraBase Compound ID | 1JuvQ4rmj1H |
|---|---|
| InChI | InChI=1S/C12H10N4O2S/c17-10-6-9(19-12-13-7-14-15-12)11(18)16(10)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,13,14,15) |
| InChIKey | VLSAMKRKIRBAKL-UHFFFAOYSA-N |
| Mol Weight | 274.3 g/mol |
| Molecular Formula | C12H10N4O2S |
| Exact Mass | 274.052447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M1hiOyKeh4 |
|---|---|
| Name | 1-Phenyl-3-(4H-1,2,4-triazol-3-ylsulfanyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.052446750 u |
| Formula | C12H10N4O2S |
| InChI | InChI=1S/C12H10N4O2S/c17-10-6-9(19-12-13-7-14-15-12)11(18)16(10)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,13,14,15) |
| InChIKey | VLSAMKRKIRBAKL-UHFFFAOYSA-N |
| Molecular Weight | 274.298 g/mol |
| SMILES | N1C=NN=C1SC1C(N(C(C1)=O)C=1C=CC=CC1)=O |