種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)CCCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2 |
InChIKey | InChI | 1.03 | WIFDOUQOJULUSV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)CCCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3 |
SMILES | CACTVS | 3.370 | FC(F)(F)CCCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.2 | c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F |