![acetamide, 2-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-phenyl-](/api/spectrum/HAsn231NFk8/structure.png?h=300&w=458 "acetamide, 2-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-phenyl-")
| SpectraBase Compound ID | GRiJgoC1iJw |
|---|---|
| InChI | InChI=1S/C11H12N4OS/c1-8-12-11(15-14-8)17-7-10(16)13-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,16)(H,12,14,15) |
| InChIKey | IMNHWJJBKCNOSF-UHFFFAOYSA-N |
| Mol Weight | 248.3 g/mol |
| Molecular Formula | C11H12N4OS |
| Exact Mass | 248.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HAsn231NFk8 |
|---|---|
| Name | Acetamide, 2-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.073182195 u |
| Formula | C11H12N4OS |
| InChI | InChI=1S/C11H12N4OS/c1-8-12-11(15-14-8)17-7-10(16)13-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,16)(H,12,14,15) |
| InChIKey | IMNHWJJBKCNOSF-UHFFFAOYSA-N |
| SMILES | N(C(CSC=1NC(=NN1)C)=O)C1=CC=CC=C1 |