![N-[(E)-(3-methoxyphenyl)methylidene]-3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine](/api/spectrum/2fhBbDxWE61/structure.png?h=300&w=458 "N-[(E)-(3-methoxyphenyl)methylidene]-3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine")
| SpectraBase Compound ID | 9Qdnke72svo |
|---|---|
| InChI | InChI=1S/C11H12N4OS/c1-16-10-5-3-4-9(6-10)7-13-15-8-12-14-11(15)17-2/h3-8H,1-2H3/b13-7+ |
| InChIKey | SRYWQLSYGKDQPW-NTUHNPAUSA-N |
| Mol Weight | 248.3 g/mol |
| Molecular Formula | C11H12N4OS |
| Exact Mass | 248.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fhBbDxWE61 |
|---|---|
| Name | N-[(E)-(3-Methoxyphenyl)methylidene]-3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine |
| 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/c1-16-10-5-3-4-9(6-10)7-13-15-8-12-14-11(15)17-2/h3-8H,1-2H3/b13-7+ |
| InChIKey | SRYWQLSYGKDQPW-NTUHNPAUSA-N |
| Molecular Weight | 248.304 g/mol |
| SMILES | C1(\C=N\N2C(=NN=C2)SC)=CC=CC(=C1)OC |