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

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluoranylbenzoate Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 4-[[5-(2-bromophenyl)-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=C(C(=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrFN2O3S/c20-16-6-2-1-5-15(16)17-22-23-19(26-17)27-12-4-3-11-25-18(24)13-7-9-14(21)10-8-13/h1-2,5-10H,11-12H2