Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4 |
InChI | InChI | 1.03 | InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18) |
InChIKey | InChI | 1.03 | VIDCTSLIEZMQRF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4 |
SMILES | CACTVS | 3.385 | O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4 |