種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F |
InChI | InChI | 1.03 | InChI=1S/C20H14F2N4O3S/c1-30(28,29)15-4-2-3-14(12-15)25-10-8-19(27)20(24-25)17-7-9-23-26(17)18-11-13(21)5-6-16(18)22/h2-12H,1H3 |
InChIKey | InChI | 1.03 | IGNVDUCPAMHXJG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(F)ccc4F |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(F)ccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(ccc4F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cccc(c1)N2C=CC(=O)C(=N2)c3ccnn3c4cc(ccc4F)F |