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

Systemtic Name: 3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylthio]propanoic acid IUPAC Name: 3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)CSCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)13-15-14-11(18-13)8-19-6-5-12(16)17/h2-4,7H,5-6,8H2,1H3,(H,16,17)