YI5
Summary
| Name: | 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL |
| Formula: | C16 H13 Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 364.803 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1OC)c2snnc2c3cc(Cl)c(O)cc3O |
| SMILES | CACTVS | 3.352 | COc1ccc(cc1OC)c2snnc2c3cc(Cl)c(O)cc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H13ClN2O4S/c1-22-13-4-3-8(5-14(13)23-2)16-15(18-19-24-16)9-6-10(17)12(21)7-11(9)20/h3-7,20-21H,1-2H3 |
| InChIKey | InChI | 1.03 | UTWGFIMJBOZKAO-UHFFFAOYSA-N |
