Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccccc1CN2N=Cc4c(C2=O)n(c3c4sc(c3)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13 |
SMILES | CACTVS | 3.341 | Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F |
InChI | InChI | 1.03 | InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3 |
InChIKey | InChI | 1.03 | IEWYEWDDQWYJLU-UHFFFAOYSA-N |