![4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol](/api/spectrum/EN4kZfT3Yiw/structure.png?h=300&w=458 "4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol")
| SpectraBase Compound ID | JzAkAwlY6cU |
|---|---|
| InChI | InChI=1S/C19H16N4S/c1-12-7-9-13(10-8-12)17-11-15(18-21-22-19(24)23(18)2)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,22,24) |
| InChIKey | BGZSWNSEDYLNKW-UHFFFAOYSA-N |
| Mol Weight | 332.43 g/mol |
| Molecular Formula | C19H16N4S |
| Exact Mass | 332.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EN4kZfT3Yiw |
|---|---|
| Name | 4-Methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-4H-1,2,4-triazole-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.109567705 u |
| Formula | C19H16N4S |
| InChI | InChI=1S/C19H16N4S/c1-12-7-9-13(10-8-12)17-11-15(18-21-22-19(24)23(18)2)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,22,24) |
| InChIKey | BGZSWNSEDYLNKW-UHFFFAOYSA-N |
| SMILES | SC=1N(C(=NN1)C=1C=C(C2=CC=C(C=C2)C)N=C2C1C=CC=C2)C |