4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate

Systemtic Name: 4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 1-benzofuran-2-carboxylate Openeye Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 4-[[1-(4-bromophenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 4-[[1-(4-bromophenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C20H13BrN4O3S MolecularWeight: 469.31122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H13BrN4O3S/c21-15-7-9-16(10-8-15)25-20(22-23-24-25)29-12-4-3-11-27-19(26)18-13-14-5-1-2-6-17(14)28-18/h1-2,5-10,13H,11-12H2