(4E)-4-[[5-methyl-2-(3-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[5-methyl-2-(3-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[5-methyl-2-(m-tolyl)-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-3-keto-4-[[5-keto-3-methyl-1-(m-tolyl)-3-pyrazolin-4-yl]hydrazono]naphthalene-1-sulfonic acid Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C21H18N4O5S/c1-12-6-5-7-14(10-12)25-21(27)19(13(2)24-25)22-23-20-16-9-4-3-8-15(16)18(11-17(20)26)31(28,29)30/h3-11,22,24H,1-2H3,(H,28,29,30)/b23-20+