PJY
Summary
| Name: | N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide |
| Formula: | C9 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 196.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N},~{N}-dimethyl-2-methylsulfanyl-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1c(cccn1)C(=O)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3 |
| InChIKey | InChI | 1.03 | KORZBTDVYBSAMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncccc1C(=O)N(C)C |
| SMILES | CACTVS | 3.385 | CSc1ncccc1C(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)C(=O)c1cccnc1SC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)C(=O)c1cccnc1SC |
