sodium (4Z)-5-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enylidene]-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one

Systemtic Name: sodium (4Z)-5-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enylidene]-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one Openeye Name: sodium (4Z)-5-methyl-2-(4-oxidoperoxysulfanylphenyl)-4-[(E)-3-(p-tolyl)prop-2-enylidene]pyrazol-3-one CAS Name: sodium 4-[(4Z)-3-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enylidene]-5-oxo-1-pyrazolyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium (4Z)-5-methyl-4-[(E)-3-(4-methylphenyl)prop-2-enylidene]-2-(4-oxidoperoxysulfanylphenyl)pyrazol-3-one Traditional Name: sodium (4Z)-5-methyl-2-[4-(oxidoperoxythio)phenyl]-4-[(E)-3-(p-tolyl)prop-2-enylidene]-2-pyrazolin-3-one Formula: C20H17N2NaO4S MolecularWeight: 404.41475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)SOO[O-])C.[Na+]

InChI

InChI=1S/C20H18N2O4S.Na/c1-14-6-8-16(9-7-14)4-3-5-19-15(2)21-22(20(19)23)17-10-12-18(13-11-17)27-26-25-24;/h3-13,24H,1-2H3;/q;+1/p-1/b4-3+,19-5-;