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

Systemtic Name: 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromanylbenzoate Openeye Name: 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 4-[[5-(3-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)F)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)Br

InChI

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