種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(\N=C1/SC(=NN1)C(O)(c2nc(cs2)C)C)Cc3c(F)cccc3F |
InChI | InChI | 1.03 | InChI=1S/C16H14F2N4O2S2/c1-8-7-25-13(19-8)16(2,24)14-21-22-15(26-14)20-12(23)6-9-10(17)4-3-5-11(9)18/h3-5,7,24H,6H2,1-2H3,(H,20,22,23)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | LBTQISHPRWJOLN-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1csc(n1)[C@](C)(O)C2=NNC(S2)=NC(=O)Cc3c(F)cccc3F |
SMILES | CACTVS | 3.370 | Cc1csc(n1)[C](C)(O)C2=NNC(S2)=NC(=O)Cc3c(F)cccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)C(C)(C2=NNC(=NC(=O)Cc3c(cccc3F)F)S2)O |