AJB
概要
| 表記: | 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide |
| 別名: | 2-amino-5-(4-methyl-4H-[1,2,4]triazole-3-yl-sulfanyl)-N-(4-methyl-thiazole-2-yl)benzamide |
| 組成式: | C14 H14 N6 O S2 |
| 電荷: | 0 |
| 化学式量: | 346.431 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide |
| OpenEye OEToolkits | 1.5.0 | 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cnnc1Sc2ccc(N)c(c2)C(=O)Nc3scc(C)n3 |
| SMILES | CACTVS | 3.341 | Cn1cnnc1Sc2ccc(N)c(c2)C(=O)Nc3scc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C |
| InChI | InChI | 1.03 | InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21) |
| InChIKey | InChI | 1.03 | JEBOJMQHVUEKBE-UHFFFAOYSA-N |
