種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc4ccc(SC1=NN2C(C=C1)=C(C(=O)N=C2)c3c(Cl)cccc3Cl)c(F)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1 |
SMILES | CACTVS | 3.341 | Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H |
InChIKey | InChI | 1.03 | VEPKQEUBKLEPRA-UHFFFAOYSA-N |