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2-(3,5-Dioxo-1-phenylpyrazolidin-4-yliden)-4-imino-3,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
SpectraBase Compound ID LDp8Nn2BKhZ
InChI InChI=1S/C26H17N5O2S/c27-16-20-22(17-10-4-1-5-11-17)34-26(30(23(20)28)18-12-6-2-7-13-18)21-24(32)29-31(25(21)33)19-14-8-3-9-15-19/h1-15,28H,(H,29,32)/b26-21+,28-23?
InChIKey HTUPXEOUACNZOP-KNSFGJILSA-N
Mol Weight 463.52 g/mol
Molecular Formula C26H17N5O2S
Exact Mass 463.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UE6lrCgq3E
Name 2-(3,5-Dioxo-1-phenylpyrazolidin-4-yliden)-4-imino-3,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Alternate Name(s) (E)-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-4-imino-3,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N5O2S
InChI InChI=1S/C26H17N5O2S/c27-16-20-22(17-10-4-1-5-11-17)34-26(30(23(20)28)18-12-6-2-7-13-18)21-24(32)29-31(25(21)33)19-14-8-3-9-15-19/h1-15,28H,(H,29,32)/b26-21+,28-23?
InChIKey HTUPXEOUACNZOP-KNSFGJILSA-N
Molecular Weight 463.515 g/mol
SMILES N1N(C(\C(=C/2N(C(C(=C(S2)c2ccccc2)C#N)=N)c2ccccc2)C1=O)=O)c1ccccc1
SPLASH splash10-052r-8396000000-0ca2182a84c4003ecc55
Source of Spectrum Y-51-864-6a
Wiley ID 1741310