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2-(3,5-Dioxo-1-phenylpyrazolidin-4-yliden)-4-imino-6-methyl-3-phenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
SpectraBase Compound ID EZu0sdvdPf8
InChI InChI=1S/C21H15N5O2S/c1-13-16(12-22)18(23)25(14-8-4-2-5-9-14)21(29-13)17-19(27)24-26(20(17)28)15-10-6-3-7-11-15/h2-11,23H,1H3,(H,24,27)/b21-17+,23-18?
InChIKey LDNNSLJVTLFREM-ZVCHYKFISA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H15N5O2S
Exact Mass 401.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3cSrA5GR6Y
Name 2-(3,5-Dioxo-1-phenylpyrazolidin-4-yliden)-4-imino-6-methyl-3-phenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Alternate Name(s) (E)-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-4-imino-6-methyl-3-phenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O2S
InChI InChI=1S/C21H15N5O2S/c1-13-16(12-22)18(23)25(14-8-4-2-5-9-14)21(29-13)17-19(27)24-26(20(17)28)15-10-6-3-7-11-15/h2-11,23H,1H3,(H,24,27)/b21-17+,23-18?
InChIKey LDNNSLJVTLFREM-ZVCHYKFISA-N
Molecular Weight 401.444 g/mol
SMILES N1N(C(\C(=C/2N(C(C(=C(S2)C)C#N)=N)c2ccccc2)C1=O)=O)c1ccccc1
SPLASH splash10-00dr-9510000000-4074b8d0058ab59a18eb
Source of Spectrum Y-51-864-5a
Wiley ID 1741321