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

Systemtic Name: 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid IUPAC Name: 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=NC(=NO2)C3=CSC=C3

InChI

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