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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NO2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NO2)CSCCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-11(16)6-7-18-8-10-13-12(17-14-10)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)