A1I5I
Summary
| Name: | 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid |
| Formula: | C5 H7 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 173.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H7N3O2S/c1-8-3-6-7-5(8)11-2-4(9)10/h3H,2H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.06 | DYBWSXCOOHHRFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnnc1SCC(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cnnc1SCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cnnc1SCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cnnc1SCC(=O)O |
