![5-(3-chlorophenyl)-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide](/api/spectrum/A3rPgZi4AGx/structure.png?h=300&w=458 "5-(3-chlorophenyl)-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide")
| SpectraBase Compound ID | LSWtDXiTRjQ |
|---|---|
| InChI | InChI=1S/C15H11ClN4S/c16-13-8-4-7-12(9-13)14-18-19-15(21)20(14)17-10-11-5-2-1-3-6-11/h1-10H,(H,19,21)/b17-10+ |
| InChIKey | DFMHMJKQFXHNSY-LICLKQGHSA-N |
| Mol Weight | 314.79 g/mol |
| Molecular Formula | C15H11ClN4S |
| Exact Mass | 314.039295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3rPgZi4AGx |
|---|---|
| Name | 5-(3-Chlorophenyl)-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.039295244 u |
| Formula | C15H11ClN4S |
| InChI | InChI=1S/C15H11ClN4S/c16-13-8-4-7-12(9-13)14-18-19-15(21)20(14)17-10-11-5-2-1-3-6-11/h1-10H,(H,19,21)/b17-10+ |
| InChIKey | DFMHMJKQFXHNSY-LICLKQGHSA-N |
| SMILES | SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C=1C=CC=CC1 |