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2,2'-{[4-(4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]dicarbonyl}dihydrazinecarbothioamide
SpectraBase Compound ID WW14gwy2mq
InChI InChI=1S/C17H20N8O4S2/c1-7-11(14(26)21-23-16(18)30)13(9-3-5-10(6-4-9)25(28)29)12(8(2)20-7)15(27)22-24-17(19)31/h3-6,13,20H,1-2H3,(H,21,26)(H,22,27)(H3,18,23,30)(H3,19,24,31)
InChIKey DXOXABSYXHVOQV-UHFFFAOYSA-N
Mol Weight 464.52 g/mol
Molecular Formula C17H20N8O4S2
Exact Mass 464.104894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB5p0b8TYeq
Name 2,2'-{[4-(4-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]dicarbonyl}dihydrazinecarbothioamide
Comments Less than 3 mono-isotopic peaks
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Formula C17H20N8O4S2
InChI InChI=1S/C17H20N8O4S2/c1-7-11(14(26)21-23-16(18)30)13(9-3-5-10(6-4-9)25(28)29)12(8(2)20-7)15(27)22-24-17(19)31/h3-6,13,20H,1-2H3,(H,21,26)(H,22,27)(H3,18,23,30)(H3,19,24,31)
InChIKey DXOXABSYXHVOQV-UHFFFAOYSA-N
Molecular Weight 464.519 g/mol
SMILES N(C(C=1C(C(C(NNC(=S)N)=O)=C(NC1C)C)c1ccc(N(=O)=O)cc1)=O)NC(=S)N
SPLASH splash10-014i-0000900000-0b1381fb03db5c0034f6
Source of Spectrum F2-46-809-2e
Synonyms [[[5-[(carbamothioylhydrazo)-oxomethyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethyl]amino]thiourea [[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]thiourea 1-[[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonylamino]thiourea
Wiley ID 1703952