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

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]acetic acid IUPAC Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-8-2-4-9(5-3-8)12-13-10(14-17-12)6-18-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)