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

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C17H11BrN2O3S2 MolecularWeight: 435.31484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H11BrN2O3S2/c18-13-7-5-12(6-8-13)15-19-20-17(23-15)25-10-2-1-9-22-16(21)14-4-3-11-24-14/h3-8,11H,9-10H2