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

Systemtic Name: 4-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzoic acid Openeye Name: 4-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzoic acid CAS Name: 4-[[5-(2-furanyl)-1,2,4-oxadiazol-3-yl]methylthio]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzoic acid Traditional Name: 4-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methylthio]benzoic acid Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NO2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NO2)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H10N2O4S/c17-14(18)9-3-5-10(6-4-9)21-8-12-15-13(20-16-12)11-2-1-7-19-11/h1-7H,8H2,(H,17,18)