| SpectraBase Compound ID | 8ZJH9tdyq7y |
|---|---|
| InChI | InChI=1S/C11H11ClN4OS/c1-7-2-3-8(12)4-9(7)15-10(17)5-18-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16) |
| InChIKey | GTTPEXUKKREWKW-UHFFFAOYSA-N |
| Mol Weight | 282.75 g/mol |
| Molecular Formula | C11H11ClN4OS |
| Exact Mass | 282.03421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwhIZ8TXgRq |
|---|---|
| Name | Acetamide, N-(5-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.034209863 u |
| Formula | C11H11ClN4OS |
| InChI | InChI=1S/C11H11ClN4OS/c1-7-2-3-8(12)4-9(7)15-10(17)5-18-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16) |
| InChIKey | GTTPEXUKKREWKW-UHFFFAOYSA-N |
| SMILES | C1=NNC(=N1)SCC(NC1=CC(=CC=C1C)Cl)=O |