Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c32n(c1ccccc1n2)c(c(CC(=O)O)s3)c4ccc(cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22) |
InChIKey | InChI | 1.03 | PUYFLGQZLHVTHX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1sc2nc3ccccc3n2c1c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl |