sodium (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-methyl-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one

Systemtic Name: sodium (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-methyl-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one Openeye Name: sodium (4Z)-4-[(4-dimethylaminophenyl)methylene]-5-methyl-2-(4-oxidoperoxysulfanylphenyl)pyrazol-3-one CAS Name: sodium 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium (4Z)-4-[(4-dimethylaminophenyl)methylidene]-5-methyl-2-(4-oxidoperoxysulfanylphenyl)pyrazol-3-one Traditional Name: sodium (4Z)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(oxidoperoxythio)phenyl]-2-pyrazolin-3-one Formula: C19H18N3NaO4S MolecularWeight: 407.41869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)SOO[O-].[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)SOO[O-].[Na+]

InChI

InChI=1S/C19H19N3O4S.Na/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27-26-25-24;/h4-12,24H,1-3H3;/q;+1/p-1/b18-12-;