| SpectraBase Compound ID | JYsycpxmZZB |
|---|---|
| InChI | InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13) |
| InChIKey | ACDUEIIMRXEFHO-UHFFFAOYSA-N |
| Mol Weight | 192.24 g/mol |
| Molecular Formula | C8H8N4S |
| Exact Mass | 192.046967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Wvo6P40I7d |
|---|---|
| Name | Pyridine, 4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.046967448 u |
| Formula | C8H8N4S |
| InChI | InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13) |
| InChIKey | ACDUEIIMRXEFHO-UHFFFAOYSA-N |
| Molecular Weight | 192.240 g/mol |
| SMILES | C1=CN=CC=C1C=1N(C(S)=NN1)C |