4-[5-[(2-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[(2-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-bromophenyl)methylthio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-bromobenzyl)thio]tetrazol-1-yl]benzoate Formula: C15H10BrN4O2S- MolecularWeight: 390.2345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C15H11BrN4O2S/c16-13-4-2-1-3-11(13)9-23-15-17-18-19-20(15)12-7-5-10(6-8-12)14(21)22/h1-8H,9H2,(H,21,22)/p-1