2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C11H7N3O3S2 MolecularWeight: 293.32158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C=S)C2=NN=C(O2)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=C=S)C2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C11H7N3O3S2/c15-9(16)5-19-11-14-13-10(17-11)7-2-1-3-8(4-7)12-6-18/h1-4H,5H2,(H,15,16)