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3-Mercapto-2-(3'-methylthiazolo[3,2-a]benzimidazol-2'-oyl)-3-phenylamino-acrylonitrile
SpectraBase Compound ID 7xnXYtHFbrz
InChI InChI=1S/C20H14N4OS2/c1-12-18(27-20-23-15-9-5-6-10-16(15)24(12)20)17(25)14(11-21)19(26)22-13-7-3-2-4-8-13/h2-10,22,26H,1H3/b19-14+
InChIKey DUMRNRMNUNJRBM-XMHGGMMESA-N
Mol Weight 390.48 g/mol
Molecular Formula C20H14N4OS2
Exact Mass 390.060903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1q5797R5oO
Name 3-Mercapto-2-(3'-methylthiazolo[3,2-a]benzimidazol-2'-oyl)-3-phenylamino-acrylonitrile
Alternate Name(s) (2E)-3-anilino-2-[(3-methyl[1,3]thiazolo[3,2-a]benzimidazol-2-yl)carbonyl]-3-sulfanyl-2-propenenitrile 3-Mercapto-3-(3'-methylthiazolo[3,2-a]benzimidazol-2'-oyl)-3-phenylamino-acrylonitrile
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Formula C20H14N4OS2
InChI InChI=1S/C20H14N4OS2/c1-12-18(27-20-23-15-9-5-6-10-16(15)24(12)20)17(25)14(11-21)19(26)22-13-7-3-2-4-8-13/h2-10,22,26H,1H3/b19-14+
InChIKey DUMRNRMNUNJRBM-XMHGGMMESA-N
Molecular Weight 390.479 g/mol
SMILES N(\C(=C/(C(C=1Sc2[n](C1C)c1ccccc1n2)=O)C#N)S)c1ccccc1
SPLASH splash10-00fr-5292000000-650bb5f2c1829d7518f7
Source of Spectrum AH-138-1007-4
Wiley ID 1612503