5-[(3-bromophenyl)methyl]-1-(triphenylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[(3-bromophenyl)methyl]-1-(triphenylmethyl)-1,2,3,4-tetrazole Openeye Name: 5-[(3-bromophenyl)methyl]-1-trityl-tetrazole CAS Name: 5-[(3-bromophenyl)methyl]-1-(triphenylmethyl)tetrazole IUPAC Name: 5-[(3-bromophenyl)methyl]-1-trityltetrazole Traditional Name: 5-(3-bromobenzyl)-1-trityl-tetrazole Formula: C27H21BrN4 MolecularWeight: 481.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C27H21BrN4/c28-25-18-10-11-21(19-25)20-26-29-30-31-32(26)27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19H,20H2