A1AA8
Summary
| Name: | 2-(methylsulfanyl)pyridine-3-carboxamide |
| Formula: | C7 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 168.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(methylsulfanyl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 2-methylsulfanylpyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1ncccc1C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10) |
| InChIKey | InChI | 1.06 | YDYXNHSKBIZKFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncccc1C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ncccc1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N |
