S0S
Summary
| Name: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol |
| Formula: | C10 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 242.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | HNCRLYXMUJVCNN-UWVGGRQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[S](=O)(=O)C[C@@H]1NCc2cccnc2 |
| SMILES | CACTVS | 3.385 | O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CNC2CS(=O)(=O)CC2O |
