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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

Click to see the large picture

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)