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

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-fluoranylbenzoate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic 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 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 4-[[5-(4-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)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br)F

Isomeric SMILES

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

InChI

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