Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1cccc(c1)CNc1nc(Cl)nc2scc(c12)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23) |
InChIKey | InChI | 1.03 | MSGBLTMRTAWJCK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)c1 |
SMILES | CACTVS | 3.385 | Oc1cccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4cccc(c4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4cccc(c4)O |