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1-(3,5-Dinitrobenzoyl)-3-(3-aminosulfonylphenyl)thiourea
SpectraBase Compound ID K3fwM8n0d1D
InChI InChI=1S/C14H11N5O7S2/c15-28(25,26)12-3-1-2-9(6-12)16-14(27)17-13(20)8-4-10(18(21)22)7-11(5-8)19(23)24/h1-7H,(H2,15,25,26)(H2,16,17,20,27)
InChIKey ZDTGLFZWPQNQRX-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C14H11N5O7S2
Exact Mass 425.00999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqrATvco6yE
Name 1-(3,5-Dinitrobenzoyl)-3-(3-aminosulfonylphenyl)thiourea
Alternate Name(s) 3,5-Dinitro-N-((3-sulfamoylphenyl)carbamothioyl)benzamide 3,5-Dinitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide 3,5-Dinitro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
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Formula C14H11N5O7S2
InChI InChI=1S/C14H11N5O7S2/c15-28(25,26)12-3-1-2-9(6-12)16-14(27)17-13(20)8-4-10(18(21)22)7-11(5-8)19(23)24/h1-7H,(H2,15,25,26)(H2,16,17,20,27)
InChIKey ZDTGLFZWPQNQRX-UHFFFAOYSA-N
Molecular Weight 425.390 g/mol
SMILES N(C(NC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)=S)c1cc(S(=O)(=O)N)ccc1
SPLASH splash10-01bc-3900000000-a545b1262ab5abd7a801
Source of Spectrum EMC-78-147-3f
Wiley ID 1740000