4-[[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[5-(4-bromophenyl)-2-tetrazolyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2,6-dimethyl-phenol Formula: C16H15BrN4O MolecularWeight: 359.2205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O/c1-10-7-12(8-11(2)15(10)22)9-21-19-16(18-20-21)13-3-5-14(17)6-4-13/h3-8,22H,9H2,1-2H3