Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl |
InChI | InChI | 1.03 | InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m1/s1 |
InChIKey | InChI | 1.03 | QXHHHPZILQDDPS-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc([C@@H](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1 |
SMILES | CACTVS | 3.385 | Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)[C@@H](Cn2ccnc2)OCc3ccsc3Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl |