2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitro-phenolate

Systemtic Name: 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitro-phenolate Openeye Name: 2-[[5-(3-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitro-phenolate CAS Name: 2-[[[5-(3-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-nitrophenolate IUPAC Name: 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitrophenolate Traditional Name: 2-[[[5-(3-furyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-nitro-phenolate Formula: C13H8N3O5S- MolecularWeight: 318.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CSC2=NN=C(O2)C3=COC=C3)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CSC2=NN=C(O2)C3=COC=C3)[O-]

InChI

InChI=1S/C13H9N3O5S/c17-11-2-1-10(16(18)19)5-9(11)7-22-13-15-14-12(21-13)8-3-4-20-6-8/h1-6,17H,7H2/p-1