Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(cc(C(O)=O)c(n1)C(F)(F)F)c3scc(c2ccccc2)n3 |
InChI | InChI | 1.03 | InChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24) |
InChIKey | InChI | 1.03 | AXBBYZUKIKQBNR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O)=O)C(F)(F)F |
SMILES | CACTVS | 3.385 | Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O)=O)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3 |