5-[4-[(4-bromanyl-2-phenethyl-phenoxy)methyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[4-[(4-bromanyl-2-phenethyl-phenoxy)methyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[4-[(4-bromo-2-phenethyl-phenoxy)methyl]phenyl]-2H-tetrazole CAS Name: 5-[4-[(4-bromo-2-phenethylphenoxy)methyl]phenyl]-2H-tetrazole IUPAC Name: 5-[4-[(4-bromo-2-phenethylphenoxy)methyl]phenyl]-2H-tetrazole Traditional Name: 5-[4-[(4-bromo-2-phenethyl-phenoxy)methyl]phenyl]-2H-tetrazole Formula: C22H19BrN4O MolecularWeight: 435.31646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C4=NNN=N4

InChI

InChI=1S/C22H19BrN4O/c23-20-12-13-21(19(14-20)11-6-16-4-2-1-3-5-16)28-15-17-7-9-18(10-8-17)22-24-26-27-25-22/h1-5,7-10,12-14H,6,11,15H2,(H,24,25,26,27)