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

Systemtic Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]propionic acid Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O3S/c1-7(12(16)17)19-6-10-14-11(15-18-10)8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H,16,17)