1-(5-bromanyl-2-methyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

InChI

InChI=1S/C12H12BrN3O2/c1-3-10-14-11(12(17)18)15-16(10)9-6-8(13)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,17,18)