種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2F)n1 |
InChI | InChI | 1.03 | InChI=1S/C17H14FN3OS/c1-11(22)19-13-8-6-12(7-9-13)16-10-23-17(21-16)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,19,22)(H,20,21) |
InChIKey | InChI | 1.03 | WXSPVANDYDKIDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F |