Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)c2cc(/N=N/c1cc(c(O)cc1N)C)c(cc2C)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N=Nc2cc(c(C)cc2C)[S](O)(=O)=O)c(N)cc1O |
SMILES | CACTVS | 3.370 | Cc1cc(N=Nc2cc(c(C)cc2C)[S](O)(=O)=O)c(N)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(c(cc1N=Nc2cc(c(cc2N)O)C)S(=O)(=O)O)C |
InChI | InChI | 1.03 | InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+ |
InChIKey | InChI | 1.03 | UUECJWRVDTUDCB-ISLYRVAYSA-N |