2-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-phenyl-4-pyrazolyl)-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]thio]acetate Formula: C13H9N4O3S- MolecularWeight: 301.30056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(O3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(O3)SCC(=O)[O-]

InChI

InChI=1S/C13H10N4O3S/c18-11(19)8-21-13-16-15-12(20-13)9-6-14-17(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)/p-1