種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(=O)(Nc1c(c(ns1)C)Br)NS(c2cc(C)ccc2)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C12H12BrN3O3S2/c1-7-4-3-5-9(6-7)21(18,19)16-12(17)14-11-10(13)8(2)15-20-11/h3-6H,1-2H3,(H2,14,16,17) |
InChIKey | InChI | 1.03 | VHHHRTHSENFAMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)[S](=O)(=O)NC(=O)Nc2snc(C)c2Br |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)[S](=O)(=O)NC(=O)Nc2snc(C)c2Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br |