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2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SpectraBase Compound ID 1TRLf7SmpL4
InChI InChI=1S/C21H18N6O2S/c1-3-16(20(28)25-17-9-12(2)29-27-17)30-21-15(11-23)18(13-7-5-4-6-8-13)14(10-22)19(24)26-21/h4-9,16H,3H2,1-2H3,(H2,24,26)(H,25,27,28)
InChIKey IJOPMKPDIQGURT-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C21H18N6O2S
Exact Mass 418.121195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZV0Nox8zbD
Name 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Alternate Name(s) 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(5-methyl-3-isoxazolyl)butanamide 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(5-methylisoxazol-3-yl)butanamide 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(5-methylisoxazol-3-yl)butyramide
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Formula C21H18N6O2S
InChI InChI=1S/C21H18N6O2S/c1-3-16(20(28)25-17-9-12(2)29-27-17)30-21-15(11-23)18(13-7-5-4-6-8-13)14(10-22)19(24)26-21/h4-9,16H,3H2,1-2H3,(H2,24,26)(H,25,27,28)
InChIKey IJOPMKPDIQGURT-UHFFFAOYSA-N
Molecular Weight 418.475 g/mol
SMILES Nc1c(c(c(c(SC(C(Nc2noc(c2)C)=O)CC)n1)C#N)-c1ccccc1)C#N
SPLASH splash10-0006-6592000000-7fdf3b70f43d28be2e03
Wiley ID 1442252