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

Systemtic Name: [5-bromanyl-2-[3-(chloromethyl)-5-propyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-(chloromethyl)-5-propyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-(chloromethyl)-5-propyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-(chloromethyl)-5-propyl-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-(chloromethyl)-5-propyl-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C18H16BrClN4O MolecularWeight: 419.70284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CCl

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CCl

InChI

InChI=1S/C18H16BrClN4O/c1-2-5-16-22-23-17(11-20)24(16)15-8-7-12(19)10-13(15)18(25)14-6-3-4-9-21-14/h3-4,6-10H,2,5,11H2,1H3