Q77
Summary
| Name: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Formula: | C9 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 226.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| OpenEye OEToolkits | 2.0.7 | 5,7-dimethyl-1,1-bis(oxidanylidene)-4~{H}-1$l^{6},2,4-benzothiadiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc2c(c(C)c1)NC(NS2(=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)15(13,14)11-9(12)10-8/h3-4H,1-2H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | OLDBDPLNTRFOOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c2NC(=O)N[S](=O)(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c2NC(=O)N[S](=O)(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C |
