Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3c(/C=N/Nc1nc(cs1)c2ccccc2Cl)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H12ClN3O2S/c18-14-8-4-3-7-13(14)15-10-24-17(20-15)21-19-9-11-5-1-2-6-12(11)16(22)23/h1-10H,(H,20,21)(H,22,23)/b19-9+ |
InChIKey | InChI | 1.03 | DDEIFUOYHWEWSS-DJKKODMXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1/C=N/Nc2scc(n2)c3ccccc3Cl |
SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C=NNc2scc(n2)c3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C=NNc2nc(cs2)c3ccccc3Cl)C(=O)O |