Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | BrC=2S/C(=N\C(=O)NS(=O)(=O)c1ccc(cc1)C)NC=2 |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2 |
SMILES | CACTVS | 3.352 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br |
InChI | InChI | 1.03 | InChI=1S/C11H10BrN3O3S2/c1-7-2-4-8(5-3-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16) |
InChIKey | InChI | 1.03 | XFLQMYNYRPUILJ-UHFFFAOYSA-N |