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

Systemtic Name: 4-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Openeye Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 4-[[1-(4-bromophenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 4-[[1-(4-bromophenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C16H11BrN4O2S2 MolecularWeight: 435.31814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4O2S2/c17-12-5-7-13(8-6-12)21-16(18-19-20-21)25-10-2-1-9-23-15(22)14-4-3-11-24-14/h3-8,11H,9-10H2