4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-(2-furanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Formula: C13H8N5O4S- MolecularWeight: 330.29872

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4S/c19-10-4-3-8(6-9(10)18(20)21)7-14-17-12(15-16-13(17)23)11-2-1-5-22-11/h1-7,19H,(H,16,23)/p-1/b14-7-