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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-bromo-2-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-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=CC(=C1)Br)N2C(=NC(=N2)C(=O)O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O2/c1-7-6-9(14)4-5-10(7)17-12(8-2-3-8)15-11(16-17)13(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)