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

Systemtic Name: 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-2-10(8-12)9-22-15-18-17-13(21-15)11-4-6-16-7-5-11/h1-8H,9H2,(H,19,20)