Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S=C(n1nc(nc1N)Nc2ccc(cc2)S(=O)(=O)N)Nc3c(F)cccc3F |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=S)Nc3c(F)cccc3F |
SMILES | CACTVS | 3.341 | Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=S)Nc3c(F)cccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F |
InChI | InChI | 1.03 | InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) |
InChIKey | InChI | 1.03 | ARIOBGGRZJITQX-UHFFFAOYSA-N |