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2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-phenyl-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID Gty42Hh3qRh
InChI InChI=1S/C21H18N4OS2/c22-10-13-15(11-6-2-1-3-7-11)17-19(24-20(13)26)25-21(28-17)16-12-8-4-5-9-14(12)27-18(16)23/h1-3,6-7,15,24,26H,4-5,8-9,23H2
InChIKey COQGUZUHTJQZIU-UHFFFAOYSA-N
Mol Weight 406.52 g/mol
Molecular Formula C21H18N4OS2
Exact Mass 406.092204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvENoxYHlAr
Name 2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-phenyl-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Faint orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4OS2
InChI InChI=1S/C21H18N4OS2/c22-10-13-15(11-6-2-1-3-7-11)17-19(24-20(13)26)25-21(28-17)16-12-8-4-5-9-14(12)27-18(16)23/h1-3,6-7,15,24,26H,4-5,8-9,23H2
InChIKey COQGUZUHTJQZIU-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 406.522 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccccc1)C#N)O
SPLASH splash10-0udi-0900000000-8609294f3e5b5d049827
Source of Spectrum Y-56-3026-5e
Wiley ID 1859344