1JA
Summary
| Name: | 2-ethylpyridine-4-carboximidothioic acid |
| Formula: | C8 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 166.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-ethylpyridine-4-carboximidothioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) |
| InChIKey | InChI | 1.03 | AEOCXXJPGCBFJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(ccn1)C(S)=N |
| SMILES | CACTVS | 3.385 | CCc1cc(ccn1)C(S)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(ccn1)C(=N)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(ccn1)C(=N)S |
