Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C(Nc1ccc(Cl)c(OC\C=C(/C)C)c1)c2c(occ2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl |
SMILES | CACTVS | 3.341 | CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22) |
InChIKey | InChI | 1.03 | YZHIXLCGPOTQNB-UHFFFAOYSA-N |