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

View entire compound with spectra: 1 MS (GC)

5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-nitrophenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID ArgQd8LwAWE
InChI InChI=1S/C21H18N6O2S2/c22-9-13-15(10-5-7-11(8-6-10)27(28)29)17-20(25-18(13)23)26-21(31-17)16-12-3-1-2-4-14(12)30-19(16)24/h5-8,15,25H,1-4,23-24H2
InChIKey JOGJHFKWDYZPJJ-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C21H18N6O2S2
Exact Mass 450.093266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8orchNQ3qWg
Name 5-Amino-2-(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-nitrophenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6O2S2
InChI InChI=1S/C21H18N6O2S2/c22-9-13-15(10-5-7-11(8-6-10)27(28)29)17-20(25-18(13)23)26-21(31-17)16-12-3-1-2-4-14(12)30-19(16)24/h5-8,15,25H,1-4,23-24H2
InChIKey JOGJHFKWDYZPJJ-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 450.535 g/mol
SMILES N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)[N+]([O-])=O)C#N)N
SPLASH splash10-0a4i-9000000000-3f979a5a82ec557199d2
Source of Spectrum Y-56-3025-5d
Wiley ID 1859343