6P5
概要
| 表記: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole |
| 組成式: | C14 H13 N3 S |
| 電荷: | 0 |
| 化学式量: | 255.338 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole |
| OpenEye OEToolkits | 2.0.4 | 4-methyl-2-(4-methylphenyl)-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole |
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 | 12.01 | c1(ccc(cc1)C)c2sc(c(C)n2)c3ccnn3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3S/c1-9-3-5-11(6-4-9)14-16-10(2)13(18-14)12-7-8-15-17-12/h3-8H,1-2H3,(H,15,17) |
| InChIKey | InChI | 1.03 | OWUYIJUAGSAJFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2sc(c3[nH]ncc3)c(C)n2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2sc(c3[nH]ncc3)c(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C |
