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

Systemtic Name: 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCCC(=O)O

InChI

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