4-[2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[1-(4-tert-butylthiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[2-[1-(4-tert-butyl-2-thiazolyl)-5-oxo-3-phenyl-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[1-(4-tert-butylthiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]hydrazino]besylic acid Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)O)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)O)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4S2/c1-22(2,3)17-13-32-21(23-17)27-20(28)19(18(26-27)14-7-5-4-6-8-14)25-24-15-9-11-16(12-10-15)33(29,30)31/h4-13,24H,1-3H3,(H,29,30,31)