Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c2cccc(/N=N/C=1C(=[N@H])N=NC=1N)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=C(N=Nc2cccc(c2)C(F)(F)F)C(=N)N=N1 |
SMILES | CACTVS | 3.341 | NC1=C(N=Nc2cccc(c2)C(F)(F)F)C(=N)N=N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)N=NC2=C(N=NC2=N)N)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+ |
InChIKey | InChI | 1.03 | SNTJRGVKGCPNBK-KGQVPBNKSA-N |