A1BL3
Summary
| Name: | 6-chloro-7-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Formula: | C8 H7 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 246.671 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-chloro-7-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| OpenEye OEToolkits | 3.1.0.0 | 6-chloranyl-7-methyl-1,1-bis(oxidanylidene)-4~{H}-1$l^{6},2,4-benzothiadiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc2NC(=O)NS(=O)(=O)c2cc1C |
| InChI | InChI | 1.06 | InChI=1S/C8H7ClN2O3S/c1-4-2-7-6(3-5(4)9)10-8(12)11-15(7,13)14/h2-3H,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.06 | PCSYYCUZIRSAEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2c(NC(=O)N[S]2(=O)=O)cc1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc2c(NC(=O)N[S]2(=O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(cc1Cl)NC(=O)NS2(=O)=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(cc1Cl)NC(=O)NS2(=O)=O |
