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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(1H-1,2,4-triazol-5-yl)amine Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2/c1-2-24-16-9-14(10-20-18-21-12-22-23-18)8-15(19)17(16)25-11-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,20,21,22,23)