ethyl 1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-[4-bromo-2-[oxo(2-pyridinyl)methyl]phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-bromo-2-picolinoyl-phenyl)-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C18H14BrClN4O3 MolecularWeight: 449.68576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)CCl)C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)CCl)C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H14BrClN4O3/c1-2-27-18(26)17-22-15(10-20)24(23-17)14-7-6-11(19)9-12(14)16(25)13-5-3-4-8-21-13/h3-9H,2,10H2,1H3