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

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11-2-6-13(7-3-11)15-18-19-17(22-15)23-10-12-4-8-14(9-5-12)16(20)21/h2-9H,10H2,1H3,(H,20,21)