| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H19N3O3S/c1-10(2)12-6-4-7-13-16(18(20(26)27)24-17(12)13)14-8-5-9-15-19(14)28-21(23-15)22-11(3)25/h4-10,24H,1-3H3,(H,26,27)(H,22,23,25) |
| InChIKey | InChI | 1.06 | HEFVFNSNKMPULT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3cccc4nc(NC(C)=O)sc34 |
| SMILES | CACTVS | 3.385 | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3cccc4nc(NC(C)=O)sc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cccc2c1[nH]c(c2c3cccc4c3sc(n4)NC(=O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cccc2c1[nH]c(c2c3cccc4c3sc(n4)NC(=O)C)C(=O)O |
