Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc(Sc1nccn1C)c(F)cc2N)Nc3nccs3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1ccnc1Sc2cc(c(N)cc2F)C(=O)Nc3sccn3 |
SMILES | CACTVS | 3.341 | Cn1ccnc1Sc2cc(c(N)cc2F)C(=O)Nc3sccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3 |
InChI | InChI | 1.03 | InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21) |
InChIKey | InChI | 1.03 | YUCYMQBDBXVNCE-UHFFFAOYSA-N |