Products 1025575-51-2

CAS 1025575-51-2 is the registry number for 3-(2-benzothiazol-2-ylthio-5-nitrophenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile. Offered by: Biosynth. Available pack sizes: 250mg.

3-(2-benzothiazol-2-ylthio-5-nitrophenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
Biosynth
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2E)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 1025575-51-2) is a chemical compound with the molecular formula C21H17N3O3S2 and a molecular weight of 423.5 g/mol. IUPAC name: (2E)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile. InChIKey: XXAKLHVNRIGGGJ-GXDHUFHOSA-N.

Identity
Molecular formulaC21H17N3O3S2
Molecular weight423.5 g/mol
IUPAC name(2E)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
InChIKeyXXAKLHVNRIGGGJ-GXDHUFHOSA-N
SMILESCC(C)(C)C(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2)/C#N

Computed by PubChem (NCBI)

Isomers (same molecular formula)
1-(4-methylphenyl)sulfonyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)urea C21H17N3O3S2