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2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chlorophenyl)-5-hydroxy-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chlorophenyl)-5-hydroxy-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID 2VAIDCIb33M
InChI InChI=1S/C21H17ClN4OS2/c22-11-7-5-10(6-8-11)15-13(9-23)20(27)25-19-17(15)29-21(26-19)16-12-3-1-2-4-14(12)28-18(16)24/h5-8,15,25,27H,1-4,24H2
InChIKey OJDDEOODFDVMNX-UHFFFAOYSA-N
Mol Weight 440.97 g/mol
Molecular Formula C21H17ClN4OS2
Exact Mass 440.053231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bCOXRdftyX
Name 2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-chlorophenyl)-5-hydroxy-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Pale yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4OS2
InChI InChI=1S/C21H17ClN4OS2/c22-11-7-5-10(6-8-11)15-13(9-23)20(27)25-19-17(15)29-21(26-19)16-12-3-1-2-4-14(12)28-18(16)24/h5-8,15,25,27H,1-4,24H2
InChIKey OJDDEOODFDVMNX-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 and Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3697
Molecular Weight 440.967 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)Cl)C#N)O
SPLASH splash10-0a4i-9000000000-076c89e8fdf715685737
Source of Spectrum Y-56-3026-5f
Wiley ID 1859345