種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(Nc1nc(SC)nc(Cl)c1C=O)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | CSc1nc(Cl)c(C=O)c(Nc2ccc(cc2)[S](N)(=O)=O)n1 |
SMILES | CACTVS | 3.370 | CSc1nc(Cl)c(C=O)c(Nc2ccc(cc2)[S](N)(=O)=O)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C12H11ClN4O3S2/c1-21-12-16-10(13)9(6-18)11(17-12)15-7-2-4-8(5-3-7)22(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,16,17) |
InChIKey | InChI | 1.03 | KJYFMIWARJDIAU-UHFFFAOYSA-N |