Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2)n3 |
SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)c1[nH]c(SC(=O)c2oc(cc2)C#Cc3ccccc3)nn1 |
SMILES | CACTVS | 3.341 | FC(F)(F)c1[nH]c(SC(=O)c2oc(cc2)C#Cc3ccccc3)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22) |
InChIKey | InChI | 1.03 | VNGWUVBXUIDQTK-UHFFFAOYSA-N |