A1EBN
Summary
| Name: | 3-(4-chlorophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium |
| Synonyms: | Enamine_000825 |
| Formula: | C11 H9 Cl N S2 |
| Formal charge: | 1 |
| Formula weight: | 254.779 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-chlorophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClNS2/c12-9-3-1-8(2-4-9)10-7-15-11-13(10)5-6-14-11/h1-4,7H,5-6H2/q+1 |
| InChIKey | InChI | 1.06 | XBGDFKDRBGVDQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)c2csc3SCC[n+]23 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)c2csc3SCC[n+]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc3[n+]2CCS3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc3[n+]2CCS3)Cl |
