4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromanylbenzoate

Systemtic Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromanylbenzoate Openeye Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H12BrFN2O3S MolecularWeight: 447.277583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrFN2O3S/c20-15-5-3-4-14(12-15)18(24)25-10-1-2-11-27-19-23-22-17(26-19)13-6-8-16(21)9-7-13/h3-9,12H,10-11H2