2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thio]acetic acid IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]thio]acetic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)SCC(=O)O

InChI

InChI=1S/C11H10N2O3S/c1-7-2-4-8(5-3-7)10-12-11(16-13-10)17-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)