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

Systemtic Name: 4-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-naphthyloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-naphthalenyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2-naphthoxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O4S/c24-20(25)16-7-5-14(6-8-16)13-28-21-23-22-19(27-21)12-26-18-10-9-15-3-1-2-4-17(15)11-18/h1-11H,12-13H2,(H,24,25)