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Substance Name: Benzenesulfonic acid, 4-(4-(2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 31994-53-3
InChIKey: BGUFNHOQYFNSKN-NMGXZBPKSA-N

Molecular Formula

  • C22-H21-N3-O4-S2

Molecular Weight

  • 455.557
 
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Names and Synonyms

Synonym

  • EINECS 250-885-4

Systematic Names

  • 4-(4-(2-(3-Ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
  • Benzenesulfonic acid, 4-(4-(2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Registry Numbers

CAS Registry Number

  • 31994-53-3

System Generated Number

  • 0031994533

Structure Descriptors

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)/b20-13-,21-14-

InChIKey

BGUFNHOQYFNSKN-NMGXZBPKSA-N

Smiles

c1(ccc(cc1)N1N=C(\C(C1=O)=C(\C=C1/Sc2c(N1CC)cccc2)C)C)S(=O)(=O)O