Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(F)c(F)cc(cc1)c3cc(n(c2scc(n2)C(O)=O)n3)O |
InChI | InChI | 1.03 | InChI=1S/C13H7F2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21) |
InChIKey | InChI | 1.03 | YXHFYWFEFKHGGF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(n1)n2nc(cc2O)c3ccc(F)c(F)c3 |
SMILES | CACTVS | 3.385 | OC(=O)c1csc(n1)n2nc(cc2O)c3ccc(F)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F |