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3,5-Pyridinedicarbonitrile, 2-amino-6-[[2-oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl]thio]-
SpectraBase Compound ID B87iHhzwcpz
InChI InChI=1S/C18H16N6O3S2/c19-9-13-8-14(10-20)18(22-17(13)21)28-11-16(25)23-6-7-24(12-23)29(26,27)15-4-2-1-3-5-15/h1-5,8H,6-7,11-12H2,(H2,21,22)
InChIKey XAZCKVHWTFFEBA-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C18H16N6O3S2
Exact Mass 428.072531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZK0qTYvQjW
Name 3,5-Pyridinedicarbonitrile, 2-amino-6-[[2-oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl]thio]-
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Formula C18H16N6O3S2
InChI InChI=1S/C18H16N6O3S2/c19-9-13-8-14(10-20)18(22-17(13)21)28-11-16(25)23-6-7-24(12-23)29(26,27)15-4-2-1-3-5-15/h1-5,8H,6-7,11-12H2,(H2,21,22)
InChIKey XAZCKVHWTFFEBA-UHFFFAOYSA-N
Molecular Weight 428.485 g/mol
SMILES Nc1nc(SCC(N2CN(S(=O)(=O)c3ccccc3)CC2)=O)c(cc1C#N)C#N
SPLASH splash10-0096-9100000000-f61c2fb180a961a22ce2
Source of Spectrum IY-1-4673-9
Synonyms 2-Amino-6-[[2-[3-(benzenesulfonyl)-1-imidazolidinyl]-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile 2-Amino-6-[2-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile 2-Amino-6-[2-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile 2-Azanyl-6-[2-oxidanylidene-2-[3-(phenylsulfonyl)imidazolidin-1-yl]ethyl]sulfanyl-pyridine-3,5-dicarbonitrile
Wiley ID 1654722