WN3
Summary
| Name: | 3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide |
| Formula: | C10 H9 N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 299.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(dioxo-lambda~6~-sulfanyl)-N-(pyridazin-3-yl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-hydrosulfonyl-~{N}-pyridazin-3-yl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1cccnn1)c1cccc(c1)S(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C10H9N3O4S2/c14-18(15)8-3-1-4-9(7-8)19(16,17)13-10-5-2-6-11-12-10/h1-7,18H,(H,12,13) |
| InChIKey | InChI | 1.06 | RPEIJACUMGJTIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2cccnn2 |
| SMILES | CACTVS | 3.385 | O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2cccnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)Nc2cccnn2)S(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)Nc2cccnn2)S(=O)=O |
