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3-Dimethylamino-5-(4'-nitrobenzylidene)-4-oxothiazolidine-2-thione - S-oxide
SpectraBase Compound ID 1Vu5DWenQ95
InChI InChI=1S/C12H11N3O4S2/c1-13(2)14-11(16)10(21(19)12(14)20)7-8-3-5-9(6-4-8)15(17)18/h3-7H,1-2H3/b10-7-
InChIKey LKKYOUSOQZZXRI-YFHOEESVSA-N
Mol Weight 325.36 g/mol
Molecular Formula C12H11N3O4S2
Exact Mass 325.019098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEGZ2YtGB9m
Name 3-Dimethylamino-5-(4'-nitrobenzylidene)-4-oxothiazolidine-2-thione - S-oxide
CAS Registry Number 138696-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O4S2
InChI InChI=1S/C12H11N3O4S2/c1-13(2)14-11(16)10(21(19)12(14)20)7-8-3-5-9(6-4-8)15(17)18/h3-7H,1-2H3/b10-7-
InChIKey LKKYOUSOQZZXRI-YFHOEESVSA-N
Molecular Weight 325.357 g/mol
SMILES C1(N(C(=O)\C(S1=O)=C\c1ccc(N(=O)=O)cc1)N(C)C)=S
SPLASH splash10-0fc0-0941000000-445853a3d164367aa95f
Source of Spectrum U-1992-340-5
Synonyms (5Z)-3-(dimethylamino)-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one 1-oxide
Wiley ID 764015