Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc(c(NS(c1c(c(ccc1)Cl)O)(=O)=O)cc2)Sc3n(C)cnn3 |
InChI | InChI | 1.03 | InChI=1S/C15H13ClN4O3S2/c1-20-9-17-18-15(20)24-12-7-3-2-6-11(12)19-25(22,23)13-8-4-5-10(16)14(13)21/h2-9,19,21H,1H3 |
InChIKey | InChI | 1.03 | DNTLDOPFKLUBET-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnnc1Sc2ccccc2N[S](=O)(=O)c3cccc(Cl)c3O |
SMILES | CACTVS | 3.385 | Cn1cnnc1Sc2ccccc2N[S](=O)(=O)c3cccc(Cl)c3O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl |