DY3
概要
| 表記: | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol |
| 組成式: | C15 H21 N3 O S |
| 電荷: | 0 |
| 化学式量: | 291.412 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3 |
| InChIKey | InChI | 1.03 | WLYAKMVSMAFGQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2 |
| SMILES | CACTVS | 3.385 | CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO |
