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

Systemtic Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate Formula: C13H14N5O3S- MolecularWeight: 320.34696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-13(2,3)11-15-16-12(22)17(11)14-7-8-4-5-10(19)9(6-8)18(20)21/h4-7,19H,1-3H3,(H,16,22)/p-1/b14-7-