Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)C(=O)NN)N |
SMILES_CANONICAL | CACTVS | 3.341 | NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22) |
InChIKey | InChI | 1.03 | PPDLAUCFAOODER-UHFFFAOYSA-N |