2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoate CAS Name: 2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoate IUPAC Name: 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoate Formula: C14H9N2O3S2- MolecularWeight: 317.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C14H10N2O3S2/c17-14(18)10-3-1-2-4-11(10)21-8-12-15-13(16-19-12)9-5-6-20-7-9/h1-7H,8H2,(H,17,18)/p-1