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

Systemtic Name: 3-[[5-(5-chloranyl-2-methoxy-phenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(5-chloro-2-methoxy-phenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13ClN2O4S/c1-23-14-6-5-12(18)8-13(14)15-19-20-17(24-15)25-9-10-3-2-4-11(7-10)16(21)22/h2-8H,9H2,1H3,(H,21,22)