Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) |
InChIKey | InChI | 1.06 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4 |
SMILES | CACTVS | 3.385 | Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)c2cn[nH]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)c2cn[nH]c2N)Oc3cc(c(cc3Cl)S(=O)(=O)Nc4cscn4)F |