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2-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetonitrile
SpectraBase Compound ID 4hdnbxyeeJ9
InChI InChI=1S/C19H15N3OS/c20-11-12-24-19-21-17(13-15-7-3-1-4-8-15)18(23)22(19)14-16-9-5-2-6-10-16/h1-10,13H,12,14H2/b17-13-
InChIKey WJFMVSVVWATFMW-LGMDPLHJSA-N
Mol Weight 333.41 g/mol
Molecular Formula C19H15N3OS
Exact Mass 333.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqtcU89gEap
Name 2-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetonitrile
Alternate Name(s) (Z)-2-((1-benzyl-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3OS
InChI InChI=1S/C19H15N3OS/c20-11-12-24-19-21-17(13-15-7-3-1-4-8-15)18(23)22(19)14-16-9-5-2-6-10-16/h1-10,13H,12,14H2/b17-13-
InChIKey WJFMVSVVWATFMW-LGMDPLHJSA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 333.409 g/mol
SMILES C1(=O)\C(N=C(SCC#N)N1Cc1ccccc1)=C\c1ccccc1
SPLASH splash10-000x-7927000000-e271a541c1a88c6fe3c2
Source of Spectrum HAC-14-350-4h
Wiley ID 1775926