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

Systemtic Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-4-nitro-phenolate Formula: C18H15N4O3S- MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-11-18(12(2)21-20-11)26-17-6-4-3-5-15(17)19-10-13-9-14(22(24)25)7-8-16(13)23/h3-10,23H,1-2H3,(H,20,21)/p-1