種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3(F)ccc(c2nn(c1nc(cs1)C(O)=O)c(C(F)(F)F)c2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C14H7F4N3O2S/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21(20-9)13-19-10(6-24-13)12(22)23/h1-6H,(H,22,23) |
InChIKey | InChI | 1.03 | QJOXPOLQKMNMLN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(n1)n2nc(cc2C(F)(F)F)c3ccc(F)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)c1csc(n1)n2nc(cc2C(F)(F)F)c3ccc(F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F |