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

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]propanoic acid IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC(=NO1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=NC(=NO1)C2=CC=CC=C2

InChI

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