Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CSc1cccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)c1 |
SMILES | CACTVS | 3.341 | CSc1cccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) |
InChIKey | InChI | 1.03 | VAARYSWULJUGST-UHFFFAOYSA-N |