T1B
Summary
| Name: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole |
| Formula: | C12 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 227.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13N5/c1-3-8-4-5-9-10(6-8)15-12(14-9)11-7-13-16-17(11)2/h4-7H,3H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | ODOFHRIEFOAOCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc2[nH]c(nc2c1)c3cnnn3C |
| SMILES | CACTVS | 3.385 | CCc1ccc2[nH]c(nc2c1)c3cnnn3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)nc([nH]2)c3cnnn3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)nc([nH]2)c3cnnn3C |
