Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3c(O)cc(O)c(c1nnsc1c2ccc(OCC)cc2)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O |
SMILES | CACTVS | 3.370 | CCOc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3 |
InChIKey | InChI | 1.03 | RFRZSMIYYCXYNL-UHFFFAOYSA-N |