2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-4,6-dinitro-phenolate Formula: C18H14N5O5S- MolecularWeight: 412.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-10-18(11(2)21-20-10)29-16-6-4-3-5-14(16)19-9-12-7-13(22(25)26)8-15(17(12)24)23(27)28/h3-9,24H,1-2H3,(H,20,21)/p-1