34L
概要
| 表記: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
| 組成式: | C13 H8 N4 O S |
| 電荷: | 0 |
| 化学式量: | 268.294 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 | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
| OpenEye OEToolkits | 1.7.6 | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one |
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 | O=C\1Nc4c(C/1=C\c2cncn2)c3scnc3cc4 |
| InChI | InChI | 1.03 | InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3- |
| InChIKey | InChI | 1.03 | VFBGXTUGODTSPK-BAQGIRSFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccc3ncsc3c2/C1=C/c4[nH]cnc4 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccc3ncsc3c2C1=Cc4[nH]cnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c3c1ncs3)C(=Cc4cnc[nH]4)C(=O)N2 |
