Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3c(O)cc(O)c(c1nnsc1c2ccc(OC)cc2)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3 |
InChIKey | InChI | 1.03 | FHKZHOZHULTQJI-UHFFFAOYSA-N |