N-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C18H18BrFN4O2 MolecularWeight: 421.263523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18BrFN4O2/c1-2-25-16-8-13(9-21-18-22-11-23-24-18)7-15(19)17(16)26-10-12-3-5-14(20)6-4-12/h3-8,11H,2,9-10H2,1H3,(H2,21,22,23,24)