A1DOH
Summary
| Name: | N-(2-bromo-6-methylphenyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide |
| Formula: | C11 H11 Br N4 O |
| Formal charge: | 0 |
| Formula weight: | 295.135 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-bromo-6-methylphenyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(2-bromanyl-6-methyl-phenyl)-1-methyl-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1c(C)cccc1Br)c1cn(C)nn1 |
| InChI | InChI | 1.06 | InChI=1S/C11H11BrN4O/c1-7-4-3-5-8(12)10(7)13-11(17)9-6-16(2)15-14-9/h3-6H,1-2H3,(H,13,17) |
| InChIKey | InChI | 1.06 | ZDPWPHOPMBAYHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nn1)C(=O)Nc2c(C)cccc2Br |
| SMILES | CACTVS | 3.385 | Cn1cc(nn1)C(=O)Nc2c(C)cccc2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=O)c2cn(nn2)C)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=O)c2cn(nn2)C)Br |
