Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)Oc1ccc(CN(n2cnnc2)c3ccc(cc3)C#N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24) |
InChIKey | InChI | 1.03 | WEXGHQDVDVWOIU-UHFFFAOYSA-N |