(4S)-4-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]octan-2-one

Systemtic Name: (4S)-4-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]octan-2-one Openeye Name: (4S)-4-[5-(4-bromophenyl)tetrazol-2-yl]octan-2-one CAS Name: (4S)-4-[5-(4-bromophenyl)-2-tetrazolyl]-2-octanone IUPAC Name: (4S)-4-[5-(4-bromophenyl)tetrazol-2-yl]octan-2-one Traditional Name: (4S)-4-[5-(4-bromophenyl)tetrazol-2-yl]octan-2-one Formula: C15H19BrN4O MolecularWeight: 351.24156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)C)N1N=C(N=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC[C@@H](CC(=O)C)N1N=C(N=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN4O/c1-3-4-5-14(10-11(2)21)20-18-15(17-19-20)12-6-8-13(16)9-7-12/h6-9,14H,3-5,10H2,1-2H3/t14-/m0/s1