Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Nc1ncc(s1)Br)(NS(c2ccc(s2)c3ccc(cc3)OC)(=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H12BrN3O4S3/c1-23-10-4-2-9(3-5-10)11-6-7-13(24-11)26(21,22)19-14(20)18-15-17-8-12(16)25-15/h2-8H,1H3,(H2,17,18,19,20) |
InChIKey | InChI | 1.03 | VEONXVUGUSCRAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2sc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2sc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |