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(3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanonitrile
SpectraBase Compound ID 1DdWxxrkl1p
InChI InChI=1S/C18H22N4O2S2/c1-12-15(13-8-6-5-7-9-13)22(18(24)21(12)2)16(23)14(10-11-19)20-17(25-3)26-4/h5-9,12,14-15H,10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKey JOEJEPBUVXQQIL-QEJZJMRPSA-N
Mol Weight 390.52 g/mol
Molecular Formula C18H22N4O2S2
Exact Mass 390.118418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hc19Ha1vNX
Name (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-[bis(methylsulfanyl)methyleneamino]-4-oxobutanonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H22N4O2S2
InChI InChI=1S/C18H22N4O2S2/c1-12-15(13-8-6-5-7-9-13)22(18(24)21(12)2)16(23)14(10-11-19)20-17(25-3)26-4/h5-9,12,14-15H,10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKey JOEJEPBUVXQQIL-QEJZJMRPSA-N
Molecular Weight 390.520 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(c1ccccc1)[H])C([C@@](N=C(SC)SC)(CC#N)[H])=O)=O
SPLASH splash10-00di-0091000000-5ee21722b10233174ad5
Source of Spectrum J-65-7318-25
Synonyms (3S)-3-[bis(methylthio)methylideneamino]-4-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1-imidazolidinyl]-4-oxobutanenitrile (3S)-3-[bis(methylsulfanyl)methylideneamino]-4-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-4-oxobutanenitrile (3S)-3-[bis(methylsulfanyl)methyleneamino]-4-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-imidazolidin-1-yl]-4-oxo-butanenitrile (3S)-3-[bis(methylsulfanyl)methylideneamino]-4-[(4S,5R)-3,4-dimethyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]-4-oxidanylidene-butanenitrile
Wiley ID 1533641