4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-yn-1-ol Openeye Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol CAS Name: 4-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-2-butyn-1-ol IUPAC Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol Traditional Name: 4-[[1-(4-bromophenyl)tetrazol-5-yl]thio]but-2-yn-1-ol Formula: C11H9BrN4OS MolecularWeight: 325.18436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)SCC#CCO)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)SCC#CCO)Br

InChI

InChI=1S/C11H9BrN4OS/c12-9-3-5-10(6-4-9)16-11(13-14-15-16)18-8-2-1-7-17/h3-6,17H,7-8H2