2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]benzoic acid IUPAC Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]benzoic acid Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

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