VZS
概要
| 表記: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea |
| 組成式: | C11 H13 N5 O2 |
| 電荷: | 0 |
| 化学式量: | 247.253 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 | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea |
| OpenEye OEToolkits | 2.0.7 | 1-(2-methoxy-5-methyl-phenyl)-3-(1,2,4-triazol-4-yl)urea |
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 | N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17) |
| InChIKey | InChI | 1.03 | WMVVWYCMGLIOCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C)cc1NC(=O)Nn2cnnc2 |
| SMILES | CACTVS | 3.385 | COc1ccc(C)cc1NC(=O)Nn2cnnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC |
