[5-bromanyl-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone

Systemtic Name: [5-bromanyl-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-(chloromethyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C21H14BrClN4O MolecularWeight: 453.71906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4)CCl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4)CCl

InChI

InChI=1S/C21H14BrClN4O/c22-15-9-10-18(16(12-15)20(28)17-8-4-5-11-24-17)27-19(13-23)25-26-21(27)14-6-2-1-3-7-14/h1-12H,13H2