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

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN2O4S/c1-25-17-10-6-15(7-11-17)19(24)26-12-2-3-13-28-20-23-22-18(27-20)14-4-8-16(21)9-5-14/h4-11H,12-13H2,1H3