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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoate Openeye Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoate IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoate Traditional Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-22-12-8-6-11(7-9-12)16-18-15(23-19-16)10-24-14-5-3-2-4-13(14)17(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1