4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid

Systemtic Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid Openeye Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid CAS Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-mercaptomethyl]benzoic acid IUPAC Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanylmethyl]benzoic acid Traditional Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-mercapto-methyl]benzoic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-10-7-11(2)9-14(8-10)16-19-20-17(23-16)15(24)12-3-5-13(6-4-12)18(21)22/h3-9,15,24H,1-2H3,(H,21,22)