| SpectraBase Compound ID | DlMJungXC5E |
|---|---|
| InChI | InChI=1S/C11H10BrN3OS3/c1-17-10-14-15-11(19-10)18-6-9(16)13-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H,13,16) |
| InChIKey | FPXMPFYFVSCCPC-UHFFFAOYSA-N |
| Mol Weight | 376.31 g/mol |
| Molecular Formula | C11H10BrN3OS3 |
| Exact Mass | 374.916938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Lg9ktnogAH |
|---|---|
| Name | N-(4-Bromophenyl)-5-methylthio-1,3,4-thiadiazol-2-ylthioacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.916938475 u |
| Formula | C11H10BrN3OS3 |
| InChI | InChI=1S/C11H10BrN3OS3/c1-17-10-14-15-11(19-10)18-6-9(16)13-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H,13,16) |
| InChIKey | FPXMPFYFVSCCPC-UHFFFAOYSA-N |
| Molecular Weight | 376.305 g/mol |
| SMILES | N(C(CSC=1SC(=NN1)SC)=O)c1ccc(cc1)Br |