4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

CAS Registry Number®

31994-53-3

CAS Name

4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Molecular Formula

C22H21N3O4S2

Molecular Mass

455.55

Cite this Page

4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31994-53-3 (retrieved 2024-11-22) (CAS RN: 31994-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >315 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H21N3O4S2/c1-4-24-18-7-5-6-8-19(18)30-20(24)13-14(2)21-15(3)23-25(22(21)26)16-9-11-17(12-10-16)31(27,28)29/h5-13H,4H2,1-3H3,(H,27,28,29)

InChIKey

InChIKey=BGUFNHOQYFNSKN-UHFFFAOYSA-N

SMILES

C(C)N1C=2C(SC1=CC(C)=C3C(=O)N(N=C3C)C4=CC=C(S(=O)(=O)O)C=C4)=CC=CC2

Canonical SMILES

O=C1C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C)=C(C=C3SC=4C=CC=CC4N3CC)C

Other Names for this Substance

  • Benzenesulfonic acid, 4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
  • Benzenesulfonic acid, p-[4-[2-(3-ethyl-2-benzothiazolinylidene)-1-methylethylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]-
  • 4-[4-[2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
  • 4-[(3-Ethyl-2-benzothiazolinylidene)isopropylidene]-3-methyl-1-(p-sulfophenyl)-2-pyrazolin-5-one
  • NK 1812