Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)/b20-15+ |
InChIKey | InChI | 1.03 | QSGKPYRFWJINEH-HMMYKYKNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(Cl)cc4Cl)c23)n1 |
SMILES | CACTVS | 3.385 | COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(Cl)cc4Cl)c23)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.5 | COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl |