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5-Oxo-4-[4-(morpholin-4-yl)-phenyl]-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile
SpectraBase Compound ID 9cBtwBtpA5w
InChI InChI=1S/C23H17N3O2S/c24-13-18-19(14-5-7-15(8-6-14)26-9-11-28-12-10-26)20-21(25-23(18)29)16-3-1-2-4-17(16)22(20)27/h1-8,18H,9-12H2
InChIKey CPRIQABQACLLKR-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C23H17N3O2S
Exact Mass 399.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Yj8lLpZGy
Name 5-Oxo-4-[4-(morpholin-4-yl)-phenyl]-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3O2S
InChI InChI=1S/C23H17N3O2S/c24-13-18-19(14-5-7-15(8-6-14)26-9-11-28-12-10-26)20-21(25-23(18)29)16-3-1-2-4-17(16)22(20)27/h1-8,18H,9-12H2
InChIKey CPRIQABQACLLKR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400020
Molecular Weight 399.468 g/mol
SMILES c1(ccc(cc1)C=1C(C(N=C2C1C(c1c2cccc1)=O)=S)C#N)N1CCOCC1
SPLASH splash10-01oy-0309100000-e90a2b2b6f4cd4b70d69
Source of Spectrum QA-51-133-26b
Synonyms 4-(4-morpholinophenyl)-5-oxo-2-thioxo-3,5-dihydro-2H-indeno[1,2-b]pyridine-3-carbonitrile
Wiley ID 1795875