種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Cc2ccccc2F)n1 |
InChI | InChI | 1.03 | InChI=1S/C20H21FN2O2S2/c1-3-23(4-2)27(24,25)17-11-9-15(10-12-17)19-14-26-20(22-19)13-16-7-5-6-8-18(16)21/h5-12,14H,3-4,13H2,1-2H3 |
InChIKey | InChI | 1.03 | PZNJPNGENGJLBG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Cc3ccccc3F)n2 |
SMILES | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(cc1)c2csc(Cc3ccccc3F)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F |