![4H-1,2,4-triazole-3-thiol, 4-[[(E)-phenylmethylidene]amino]-](/api/spectrum/9DsWlJNxAsu/structure.png?h=300&w=458 "4H-1,2,4-triazole-3-thiol, 4-[[(E)-phenylmethylidene]amino]-")
| SpectraBase Compound ID | ICoXEVy9t5k |
|---|---|
| InChI | InChI=1S/C9H8N4S/c14-9-12-10-7-13(9)11-6-8-4-2-1-3-5-8/h1-7H,(H,12,14)/b11-6+ |
| InChIKey | SOJDFRMKXRGAEQ-IZZDOVSWSA-N |
| Mol Weight | 204.25 g/mol |
| Molecular Formula | C9H8N4S |
| Exact Mass | 204.046967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DsWlJNxAsu |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 4-[[(E)-phenylmethylidene]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.046967448 u |
| Formula | C9H8N4S |
| InChI | InChI=1S/C9H8N4S/c14-9-12-10-7-13(9)11-6-8-4-2-1-3-5-8/h1-7H,(H,12,14)/b11-6+ |
| InChIKey | SOJDFRMKXRGAEQ-IZZDOVSWSA-N |
| Molecular Weight | 204.251 g/mol |
| SMILES | SC=1N(\N=C\C=2C=CC=CC2)C=NN1 |