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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N2C(=NC(=N2)C(=O)O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N2C(=NC(=N2)C(=O)O)C3CC3

InChI

InChI=1S/C13H12BrN3O2/c1-7-2-5-9(14)6-10(7)17-12(8-3-4-8)15-11(16-17)13(18)19/h2,5-6,8H,3-4H2,1H3,(H,18,19)