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

Systemtic Name: 4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl furan-2-carboxylate Openeye Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[[1-(4-bromophenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-[[1-(4-bromophenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C16H11BrN4O3S MolecularWeight: 419.25254

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN4O3S/c17-12-5-7-13(8-6-12)21-16(18-19-20-21)25-11-2-1-9-24-15(22)14-4-3-10-23-14/h3-8,10H,9,11H2