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2,2'-[(2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-diyl)dicarbonyl]dihydrazine carbothioamide
SpectraBase Compound ID j9l55tBMu5
InChI InChI=1S/C17H21N7O2S2/c1-8-11(14(25)21-23-16(18)27)13(10-6-4-3-5-7-10)12(9(2)20-8)15(26)22-24-17(19)28/h3-7,13,20H,1-2H3,(H,21,25)(H,22,26)(H3,18,23,27)(H3,19,24,28)
InChIKey HZLKJUOCNGZYCG-UHFFFAOYSA-N
Mol Weight 419.52 g/mol
Molecular Formula C17H21N7O2S2
Exact Mass 419.119815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE4IK7NdPLQ
Name 2,2'-[(2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-diyl)dicarbonyl]dihydrazine carbothioamide
Alternate Name(s) [[[5-[(carbamothioylhydrazo)-oxomethyl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl]-oxomethyl]amino]thiourea [[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]thiourea 1-[[5-[(carbamothioylamino)carbamoyl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonylamino]thiourea
Comments Less than 3 mono-isotopic peaks
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Formula C17H21N7O2S2
InChI InChI=1S/C17H21N7O2S2/c1-8-11(14(25)21-23-16(18)27)13(10-6-4-3-5-7-10)12(9(2)20-8)15(26)22-24-17(19)28/h3-7,13,20H,1-2H3,(H,21,25)(H,22,26)(H3,18,23,27)(H3,19,24,28)
InChIKey HZLKJUOCNGZYCG-UHFFFAOYSA-N
Molecular Weight 419.522 g/mol
SMILES N(C(C=1C(C(C(NNC(=S)N)=O)=C(NC1C)C)c1ccccc1)=O)NC(=S)N
SPLASH splash10-014i-0000900000-6b06da1f2c273cb7372b
Source of Spectrum F2-46-809-2b
Wiley ID 1714809