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2-(Benzylsulfanyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 3FEomrAV5RQ
InChI InChI=1S/C23H19ClN2OS/c24-17-11-9-16(10-12-17)21-18(13-25)23(28-14-15-5-2-1-3-6-15)26-19-7-4-8-20(27)22(19)21/h1-3,5-6,9-12,21,26H,4,7-8,14H2
InChIKey DQHPQQCGYOZJJY-UHFFFAOYSA-N
Mol Weight 406.93 g/mol
Molecular Formula C23H19ClN2OS
Exact Mass 406.090662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwsmiSZdZY1
Name 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS Registry Number 309732-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN2OS
InChI InChI=1S/C23H19ClN2OS/c24-17-11-9-16(10-12-17)21-18(13-25)23(28-14-15-5-2-1-3-6-15)26-19-7-4-8-20(27)22(19)21/h1-3,5-6,9-12,21,26H,4,7-8,14H2
InChIKey DQHPQQCGYOZJJY-UHFFFAOYSA-N
Molecular Weight 406.931 g/mol
SMILES N1C2=C(C(C(=C1SCc1ccccc1)C#N)c1ccc(cc1)Cl)C(CCC2)=O
SPLASH splash10-0006-9111000000-d38600909dcb55ad38e8
Source of Spectrum AD-0-2532-0
Synonyms 2-(benzylthio)-4-(4-chlorophenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile 2-Benzylsulfanyl-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile 4-(4-Chlorophenyl)-5-oxidanylidene-2-(phenylmethylsulfanyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile 4-(4-Chlorophenyl)-5-oxo-2-(phenylmethylthio)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Quinoline-3-carbonitrile, 1,4,5,6,7,8-hexahydro-2-benzylthio-4-(4-chlorophenyl)-5-oxo-
Wiley ID 1429537