Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)c3sc4c(c2cc1ccc(cc1n2)C(O)(CC)CC)nnc4c3 |
InChI | InChI | 1.03 | InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24) |
InChIKey | InChI | 1.03 | CQZZZUNOWZUNNG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(O)(CC)c1ccc2cc([nH]c2c1)c3[nH]nc4cc(sc34)C(F)F |
SMILES | CACTVS | 3.370 | CCC(O)(CC)c1ccc2cc([nH]c2c1)c3[nH]nc4cc(sc34)C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O |