Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+ |
InChIKey | InChI | 1.03 | CQVXUWVBXDJAGD-GIJQJNRQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)\C=N\N2C(=S)NN=C2c3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C=NN2C(=S)NN=C2c3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=NN2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O |