N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (5-bromo-2-fluoro-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C12H14BrFN4 MolecularWeight: 313.168763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C12H14BrFN4/c1-8(12-17-16-7-18(12)2)15-6-9-5-10(13)3-4-11(9)14/h3-5,7-8,15H,6H2,1-2H3