Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c2c(/N=N/C=1C(=[N@H])N=NC=1N)cccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=C(N=Nc2ccccc2C(F)(F)F)C(=N)N=N1 |
SMILES | CACTVS | 3.341 | NC1=C(N=Nc2ccccc2C(F)(F)F)C(=N)N=N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1C(=C(N=N1)N)N=Nc2ccccc2C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8-,17-16+ |
InChIKey | InChI | 1.03 | KJHMEAOMPGLBTJ-LKCQKNGNSA-N |