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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

InChI

InChI=1S/C13H14BrN3O2/c1-3-4-11-15-12(13(18)19)16-17(11)10-7-9(14)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,18,19)