種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O |
SMILES_CANONICAL | CACTVS | 3.370 | CSc1nc(Cl)c(C=O)c(NCc2ccc(cc2)[S](N)(=O)=O)n1 |
SMILES | CACTVS | 3.370 | CSc1nc(Cl)c(C=O)c(NCc2ccc(cc2)[S](N)(=O)=O)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18) |
InChIKey | InChI | 1.03 | NPWLBLGDDVPXFE-UHFFFAOYSA-N |