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2-{5'-Acetyl-3'-[p-(aminosulfonyl)phenyl]-1',3',4'-thiadiazol-2'(3H)-ylidene}-3-oxo-3-(piperidin-1"-yl)-propane-1-nitrile
SpectraBase Compound ID HSx7nrPjHbM
InChI InChI=1S/C18H19N5O4S2/c1-12(24)16-21-23(13-5-7-14(8-6-13)29(20,26)27)18(28-16)15(11-19)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-10H2,1H3,(H2,20,26,27)/b18-15+
InChIKey QJVZYRYANIJVDA-OBGWFSINSA-N
Mol Weight 433.5 g/mol
Molecular Formula C18H19N5O4S2
Exact Mass 433.087846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Qczqmiz26x
Name 2-{5'-Acetyl-3'-[p-(aminosulfonyl)phenyl]-1',3',4'-thiadiazol-2'(3H)-ylidene}-3-oxo-3-(piperidin-1"-yl)-propane-1-nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N5O4S2
InChI InChI=1S/C18H19N5O4S2/c1-12(24)16-21-23(13-5-7-14(8-6-13)29(20,26)27)18(28-16)15(11-19)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-10H2,1H3,(H2,20,26,27)/b18-15+
InChIKey QJVZYRYANIJVDA-OBGWFSINSA-N
Molecular Weight 433.501 g/mol
SMILES NS(c1ccc(N2\C(=C/(C(N3CCCCC3)=O)C#N)SC(C(=O)C)=N2)cc1)(=O)=O
SPLASH splash10-000i-0059500000-bd7da4c99052fe8fa099
Source of Spectrum AH-140-436-15d
Wiley ID 1696144