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2-Amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID D3bfdZ0Fnes
InChI InChI=1S/C23H20BrN3OS/c1-29-17-11-5-14(6-12-17)21-18(13-25)23(26)27(16-9-7-15(24)8-10-16)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3
InChIKey PTMAVHALESPMDX-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C23H20BrN3OS
Exact Mass 465.051046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HhJh7kiMS
Name 2-Amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20BrN3OS
InChI InChI=1S/C23H20BrN3OS/c1-29-17-11-5-14(6-12-17)21-18(13-25)23(26)27(16-9-7-15(24)8-10-16)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3
InChIKey PTMAVHALESPMDX-UHFFFAOYSA-N
Molecular Weight 466.397 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)N1c1ccc(cc1)Br)c1ccc(cc1)SC)C#N
SPLASH splash10-0006-1539300000-d5223930e0ca9b88119c
Synonyms 2-Amino-1-(4-bromophenyl)-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Amino-1-(4-bromophenyl)-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1459827