2,4-dinitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate

Systemtic Name: 2,4-dinitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 2,4-dinitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 2,4-dinitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2,4-dinitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 2,4-dinitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C15H9N6O5S- MolecularWeight: 385.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N6O5S/c22-13-10(6-11(20(23)24)7-12(13)21(25)26)8-16-19-14(17-18-15(19)27)9-4-2-1-3-5-9/h1-8,22H,(H,18,27)/p-1/b16-8-