Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(=O)Nc1sc(cn1)Br)S(c2csc3c2cccc3)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C12H8BrN3O3S3/c13-10-5-14-12(21-10)15-11(17)16-22(18,19)9-6-20-8-4-2-1-3-7(8)9/h1-6H,(H2,14,15,16,17) |
InChIKey | InChI | 1.03 | YVUPAWIDSNSGIT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1sc(NC(=O)N[S](=O)(=O)c2csc3ccccc23)nc1 |
SMILES | CACTVS | 3.385 | Brc1sc(NC(=O)N[S](=O)(=O)c2csc3ccccc23)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |