種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C3NS(=O)(=O)N(c1c(Cl)c(sc1)c2ccccc2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1c(scc1N2CC(=O)N[S]2(=O)=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | Clc1c(scc1N2CC(=O)N[S]2(=O)=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16) |
InChIKey | InChI | 1.03 | LCPRWBWCEGWNKF-UHFFFAOYSA-N |