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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC2=CC=CC=C2)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)CC2=CC=CC=C2)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C21H18N4O5S/c1-13-19(21(27)25(24-13)12-14-7-3-2-4-8-14)22-23-20-16-10-6-5-9-15(16)18(11-17(20)26)31(28,29)30/h2-11,22,24H,12H2,1H3,(H,28,29,30)/b23-20+