Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ncc(Br)s1)NC(=O)NS(c3ccc(c2nc(C)sc2)cc3)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H11BrN4O3S3/c1-8-17-11(7-23-8)9-2-4-10(5-3-9)25(21,22)19-13(20)18-14-16-6-12(15)24-14/h2-7H,1H3,(H2,16,18,19,20) |
InChIKey | InChI | 1.03 | PBJUIJVIZOCYKR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES | CACTVS | 3.385 | Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |