6IQ
Summary
| Name: | 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole |
| Formula: | C13 H8 Cl2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 327.186 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H |
| InChIKey | InChI | 1.03 | PXUHMEZESKEPKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2S(=O)(=O)c3cc(ccc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2S(=O)(=O)c3cc(ccc3Cl)Cl |
