4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate Formula: C16H10BrN2O3S- MolecularWeight: 390.2312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C16H11BrN2O3S/c17-13-4-2-1-3-12(13)14-18-19-16(22-14)23-9-10-5-7-11(8-6-10)15(20)21/h1-8H,9H2,(H,20,21)/p-1