5-[4-[(2-bromanyl-6-phenethyl-phenoxy)methyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[4-[(2-bromanyl-6-phenethyl-phenoxy)methyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[4-[(2-bromo-6-phenethyl-phenoxy)methyl]phenyl]-2H-tetrazole CAS Name: 5-[4-[(2-bromo-6-phenethylphenoxy)methyl]phenyl]-2H-tetrazole IUPAC Name: 5-[4-[(2-bromo-6-phenethylphenoxy)methyl]phenyl]-2H-tetrazole Traditional Name: 5-[4-[(2-bromo-6-phenethyl-phenoxy)methyl]phenyl]-2H-tetrazole Formula: C22H19BrN4O MolecularWeight: 435.31646

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