Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1c(OC)ccc(c1)CSc2nnc(o2)c3ccc4OCOc4c3 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(CSc2oc(nn2)c3ccc4OCOc4c3)cc1F |
SMILES | CACTVS | 3.341 | COc1ccc(CSc2oc(nn2)c3ccc4OCOc4c3)cc1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4 |
InChI | InChI | 1.03 | InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3 |
InChIKey | InChI | 1.03 | TUTZKAQTSPMEBI-UHFFFAOYSA-N |