2-methoxy-6-nitro-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 2-methoxy-6-nitro-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C10H8N5O4S- MolecularWeight: 294.26662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NN2C=NNC2=S

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\N2C=NNC2=S

InChI

InChI=1S/C10H9N5O4S/c1-19-8-3-6(2-7(9(8)16)15(17)18)4-12-14-5-11-13-10(14)20/h2-5,16H,1H3,(H,13,20)/p-1/b12-4-