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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H12BrClN2O3S MolecularWeight: 463.73218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrClN2O3S/c20-15-8-6-13(7-9-15)18(24)25-10-1-2-11-27-19-23-22-17(26-19)14-4-3-5-16(21)12-14/h3-9,12H,10-11H2