Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ncccn1)Sc2oc(cc2)\C=N\NC(c3cccc(c3)F)=O |
InChI | InChI | 1.03 | InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+ |
InChIKey | InChI | 1.03 | DRXIKWHRYGIZNG-KEBDBYFISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N/N=C/c2oc(Sc3ncccn3)cc2 |
SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ncccn3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)F)C(=O)NN=Cc2ccc(o2)Sc3ncccn3 |