(4E)-4-[[5-azanyl-2-(4-tert-butylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[5-azanyl-2-(4-tert-butylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[5-amino-2-(4-tert-butylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-amino-2-(4-tert-butylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-amino-2-(4-tert-butylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[3-amino-1-(4-tert-butylphenyl)-5-keto-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C23H23N5O5S MolecularWeight: 481.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O5S/c1-23(2,3)13-8-10-14(11-9-13)28-22(30)20(21(24)27-28)26-25-19-16-7-5-4-6-15(16)18(12-17(19)29)34(31,32)33/h4-12,26-27H,24H2,1-3H3,(H,31,32,33)/b25-19+