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

Systemtic Name: 4-bromanyl-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-ethoxy-phenolate Openeye Name: 4-bromo-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-ethoxy-phenolate CAS Name: 4-bromo-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-6-ethoxyphenolate IUPAC Name: 4-bromo-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-ethoxyphenolate Traditional Name: 4-bromo-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-6-ethoxy-phenolate Formula: C20H19BrN3O2S- MolecularWeight: 445.35276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)Br)C=NC2=CC=CC=C2SC3=C(NN=C3C)C)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)Br)C=NC2=CC=CC=C2SC3=C(NN=C3C)C)[O-]

InChI

InChI=1S/C20H20BrN3O2S/c1-4-26-17-10-15(21)9-14(19(17)25)11-22-16-7-5-6-8-18(16)27-20-12(2)23-24-13(20)3/h5-11,25H,4H2,1-3H3,(H,23,24)/p-1