QFM
概要
| 表記: | 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole |
| 別名: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole |
| 組成式: | C10 H11 Cl N2 S |
| 電荷: | 0 |
| 化学式量: | 226.726 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 | 2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole |
| OpenEye OEToolkits | 2.0.7 | 2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydro-1~{H}-imidazole |
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 | C1N=C(NC1)SCc2ccccc2Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13) |
| InChIKey | InChI | 1.03 | MRKZZXDCOQKXGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1CSC2=NCCN2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1CSC2=NCCN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CSC2=NCCN2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CSC2=NCCN2)Cl |
