K6W
概要
| 表記: | 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide |
| 組成式: | C18 H16 N2 S |
| 電荷: | 0 |
| 化学式量: | 292.398 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 | 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide |
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/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20) |
| InChIKey | InChI | 1.03 | NINSVBHVKFSPEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c(cc(s2)C(=N)N)c3ccccc3 |
