O6Q
Summary
| Name: | 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
| Formula: | C9 H8 Cl2 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 295.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
| OpenEye OEToolkits | 2.0.7 | 5-[(3,4-dichlorophenyl)methyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8Cl2N2O3S/c10-7-2-1-6(3-8(7)11)4-13-5-9(14)12-17(13,15)16/h1-3H,4-5H2,(H,12,14) |
| InChIKey | InChI | 1.06 | YGRAWJOPHDOUHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl |
