PX7
Summary
| Name: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Formula: | C8 H8 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 212.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-1,1-bis(oxidanylidene)-1$l^{6},2,4-benzothiadiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2S(c1ccccc1N(C2=O)C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11) |
| InChIKey | InChI | 1.03 | RQCMUVKZNMGOOY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N[S](=O)(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N[S](=O)(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2S(=O)(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2S(=O)(=O)NC1=O |
