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

Systemtic Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-p-phenetyl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-2-23-15-9-7-13(8-10-15)16-19-20-18(24-16)25-11-12-3-5-14(6-4-12)17(21)22/h3-10H,2,11H2,1H3,(H,21,22)