D9K
Summary
| Name: | ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine |
| Formula: | C11 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 240.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | UTGFIRRMSACIPX-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncccc1N[C@H]2CCC[S](=O)(=O)C2 |
| SMILES | CACTVS | 3.385 | Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cccn1)NC2CCCS(=O)(=O)C2 |
