Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O3S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(25-10(2)19(23)24)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,23,24)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | WBVIAMZVXIOLIK-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 |
SMILES | CACTVS | 3.385 | CCc1sc2ncnc(O[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(ncnc2s1)OC(C)C(=O)O)c3ccc4c(c3)cc[nH]4 |