OWH
Summary
| Name: | ~{N}-methylpyridine-3-carbothioamide |
| Formula: | C7 H8 N2 S |
| Formal charge: | 0 |
| Formula weight: | 152.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methylpyridine-3-carbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2S/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) |
| InChIKey | InChI | 1.03 | FDIVIVQWGKEWIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=S)c1cccnc1 |
| SMILES | CACTVS | 3.385 | CNC(=S)c1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=S)c1cccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=S)c1cccnc1 |
