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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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