Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21) |
InChIKey | InChI | 1.03 | INYJNSBDHOVLAH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F |
SMILES | CACTVS | 3.370 | NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F |