Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2OC(F)(F)Oc12 |
InChI | InChI | 1.03 | InChI=1S/C21H14F2N4O5S/c1-33(29,30)14-5-2-4-13(12-14)26-11-9-17(28)19(25-26)15-8-10-24-27(15)16-6-3-7-18-20(16)32-21(22,23)31-18/h2-12H,1H3 |
InChIKey | InChI | 1.03 | AXMCJHYRGLVVQS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5OC(F)(F)Oc45 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5OC(F)(F)Oc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5c4OC(O5)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cccc5c4OC(O5)(F)F |