Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccccc3\N=C1/S/C(C(=O)N1)=C\c2ccc(O)c(OC)c2 |
InChI | InChI | 1.03 | InChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9- |
InChIKey | InChI | 1.03 | CEYSJUACBKYCKN-DHDCSXOGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1O)/C=C/2SC(NC/2=O)=Nc3ccccc3Cl |
SMILES | CACTVS | 3.370 | COc1cc(ccc1O)C=C2SC(NC2=O)=Nc3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2 |