Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B2O |
SMILES | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O |
InChI | InChI | 1.03 | InChI=1S/C14H13BN2O3S/c1-11-6-8-13(9-7-11)21(19,20)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10,18H,1H3 |
InChIKey | InChI | 1.03 | UQIDNSKBUXCODH-UHFFFAOYSA-N |