2-[5-[(3-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: 2-[5-[(3-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanoate Openeye Name: 2-[4-benzyl-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(3-bromophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]acetate IUPAC Name: 2-[4-benzyl-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-benzyl-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]acetate Formula: C18H15BrN3O3- MolecularWeight: 401.234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2COC3=CC(=CC=C3)Br)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2COC3=CC(=CC=C3)Br)CC(=O)[O-]

InChI

InChI=1S/C18H16BrN3O3/c19-14-7-4-8-15(9-14)25-12-17-21-20-16(10-18(23)24)22(17)11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,23,24)/p-1