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

Systemtic Name: 4-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(1-naphthyloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(1-naphthalenyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(1-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(=C1)C=CC=C2OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O

InChI

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