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

Systemtic Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-bromanylbenzoate Openeye Name: 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C18H12BrN3O3S MolecularWeight: 430.27518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O3S/c19-15-6-2-1-5-14(15)17(23)24-11-3-4-12-26-18-22-21-16(25-18)13-7-9-20-10-8-13/h1-2,5-10H,11-12H2