種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)Sc1nc(nc(C)c1C(=O)O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C18H13FN2O2S/c1-11-15(18(22)23)17(24-14-9-7-13(19)8-10-14)21-16(20-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23) |
InChIKey | InChI | 1.06 | RJHSLHDWIDVZDR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | Cc1nc(nc(Sc2ccc(F)cc2)c1C(O)=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(nc(n1)c2ccccc2)Sc3ccc(cc3)F)C(=O)O |