WHO
概要
| 表記: | 3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| 組成式: | C14 H13 F3 N6 O2 S |
| 電荷: | 0 |
| 化学式量: | 386.352 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-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
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 | 1.06 | InChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24) |
| InChIKey | InChI | 1.06 | HCPJQSRDQCYJQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F |
