Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+ |
InChIKey | InChI | 1.06 | HKNCSGKFKMZWJG-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)\C=C\c1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34 |
SMILES | CACTVS | 3.385 | O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Sc2c[nH]c3c2N=CNC3=O)/C=C/P(=O)(O)O)Oc4c(c(c(c(c4F)F)F)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Sc2c[nH]c3c2N=CNC3=O)C=CP(=O)(O)O)Oc4c(c(c(c(c4F)F)F)F)F |