3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11-5-7-13(8-6-11)15-18-17(22-19-15)23-10-12-3-2-4-14(9-12)16(20)21/h2-9H,10H2,1H3,(H,20,21)