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N-(benzothiazol-2-yl)-2-cyano-3-(1,3-diphenyl-1H-pyrazol-4-yl) acrylamide
SpectraBase Compound ID C8YesEJHr28
InChI InChI=1S/C26H17N5OS/c27-16-19(25(32)29-26-28-22-13-7-8-14-23(22)33-26)15-20-17-31(21-11-5-2-6-12-21)30-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,28,29,32)/b19-15+
InChIKey JHPWCLUDMSFBNP-XDJHFCHBSA-N
Mol Weight 447.52 g/mol
Molecular Formula C26H17N5OS
Exact Mass 447.115381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dewnrK499Y
Name N-(benzothiazol-2-yl)-2-cyano-3-(1,3-diphenyl-1H-pyrazol-4-yl) acrylamide
Alternate Name(s) (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-2-propenamide (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N5OS
InChI InChI=1S/C26H17N5OS/c27-16-19(25(32)29-26-28-22-13-7-8-14-23(22)33-26)15-20-17-31(21-11-5-2-6-12-21)30-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,28,29,32)/b19-15+
InChIKey JHPWCLUDMSFBNP-XDJHFCHBSA-N
Molecular Weight 447.516 g/mol
SMILES N(c1nc2ccccc2s1)C(\C(=C\c1c(n[n](c1)-c1ccccc1)-c1ccccc1)C#N)=O
SPLASH splash10-0002-0490100000-219ff40d47591722d1b4
Source of Spectrum F2-45-3698-14
Wiley ID 1703336