4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c20-16(21)13-8-6-12(7-9-13)11-24-17-19-18-15(23-17)10-22-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,20,21)