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Substance Name: 2-(4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)-6-methylbenzothiazole-7-sulphonic acid
RN: 5855-99-2
InChIKey: IHXSKOQMJPMEFP-UHFFFAOYSA-N

Molecular Formula

  • C18-H15-N3-O4-S2

Molecular Weight

  • 401.466
 
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Names and Synonyms

Synonym

  • EINECS 227-472-2

Systematic Name

  • 2-(4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)-6-methylbenzothiazole-7-sulphonic acid

Registry Numbers

CAS Registry Number

  • 5855-99-2

System Generated Number

  • 0005855992

Structure Descriptors

InChI

1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)

InChIKey

IHXSKOQMJPMEFP-UHFFFAOYSA-N

Smiles

c12c(S(=O)(=O)O)c(C)ccc2nc(s1)c1ccc(N2C(CC(=N2)C)=O)cc1