Q7A
Summary
| Name: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Formula: | C7 H5 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 232.644 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-1,1-bis(oxidanylidene)-4~{H}-1$l^{6},2,4-benzothiadiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NS(=O)(=O)c1c(c(ccc1)Cl)N2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11) |
| InChIKey | InChI | 1.03 | LHWAXFMPTHUVQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2c1NC(=O)N[S]2(=O)=O |
| SMILES | CACTVS | 3.385 | Clc1cccc2c1NC(=O)N[S]2(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O |
