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

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-bromanylbenzoate Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 4-[(5-p-phenetyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H17BrN2O4S/c1-2-26-16-11-9-15(10-12-16)19-23-24-21(28-19)29-14-6-5-13-27-20(25)17-7-3-4-8-18(17)22/h3-4,7-12H,2,13-14H2,1H3