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

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3S/c20-16-10-8-14(9-11-16)17-21-22-19(25-17)26-13-5-4-12-24-18(23)15-6-2-1-3-7-15/h1-3,6-11H,12-13H2