4-[(4Z)-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methylene]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H18N4O5S/c1-12-16(10-13-4-9-17-18(11-13)23(3)20(26)22(17)2)19(25)24(21-12)14-5-7-15(8-6-14)30(27,28)29/h4-11H,1-3H3,(H,27,28,29)/b16-10-