N-[(3-bromophenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[(3-bromophenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(3-bromophenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-bromophenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-bromophenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (3-bromobenzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C16H16BrN5S MolecularWeight: 390.30074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H16BrN5S/c17-14-6-4-5-13(11-14)12-18-9-10-23-16-19-20-21-22(16)15-7-2-1-3-8-15/h1-8,11,18H,9-10,12H2