ethyl 4-(4-bromanyl-2-fluoranyl-phenyl)-5-methyl-1,2,3-triazole-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-2-fluoranyl-phenyl)-5-methyl-1,2,3-triazole-1-carboxylate Openeye Name: ethyl 4-(4-bromo-2-fluoro-phenyl)-5-methyl-triazole-1-carboxylate CAS Name: 4-(4-bromo-2-fluorophenyl)-5-methyl-1-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-fluorophenyl)-5-methyltriazole-1-carboxylate Traditional Name: 4-(4-bromo-2-fluoro-phenyl)-5-methyl-triazole-1-carboxylic acid ethyl ester Formula: C12H11BrFN3O2 MolecularWeight: 328.137043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=C(N=N1)C2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCOC(=O)N1C(=C(N=N1)C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C12H11BrFN3O2/c1-3-19-12(18)17-7(2)11(15-16-17)9-5-4-8(13)6-10(9)14/h4-6H,3H2,1-2H3