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(E)-2-[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-yl-prop-2-enenitrile
SpectraBase Compound ID FUv3qVwjMF2
InChI InChI=1S/C21H16N4OS2/c1-14-19(21(26)25(24(14)2)16-7-4-3-5-8-16)18-13-28-20(23-18)15(12-22)11-17-9-6-10-27-17/h3-11,13H,1-2H3/b15-11+
InChIKey MTEOUMPBGIVNSW-RVDMUPIBSA-N
Mol Weight 404.51 g/mol
Molecular Formula C21H16N4OS2
Exact Mass 404.076553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Isanauhf4lz
Name (E)-2-[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-yl-prop-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4OS2
InChI InChI=1S/C21H16N4OS2/c1-14-19(21(26)25(24(14)2)16-7-4-3-5-8-16)18-13-28-20(23-18)15(12-22)11-17-9-6-10-27-17/h3-11,13H,1-2H3/b15-11+
InChIKey MTEOUMPBGIVNSW-RVDMUPIBSA-N
Molecular Weight 404.506 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)c1nc(\C(=C\c2sccc2)C#N)sc1
SPLASH splash10-0pdi-9110100000-a6fe53c2bb3c47c01f15
Synonyms (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiazolyl]-3-thiophen-2-yl-2-propenenitrile (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiazol-2-yl]-3-(2-thienyl)prop-2-enenitrile (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile (E)-2-[4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiazol-2-yl]-3-(2-thienyl)acrylonitrile
Wiley ID 1453646