1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[4-bromo-2-[oxo(2-pyridinyl)methyl]phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-bromo-2-picolinoyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H10BrClN4O3 MolecularWeight: 421.6326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=NC(=N3)C(=O)O)CCl

Isomeric SMILES

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)N3C(=NC(=N3)C(=O)O)CCl

InChI

InChI=1S/C16H10BrClN4O3/c17-9-4-5-12(22-13(8-18)20-15(21-22)16(24)25)10(7-9)14(23)11-3-1-2-6-19-11/h1-7H,8H2,(H,24,25)