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1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-quinone
SpectraBase Compound ID 1k4m8PttI1U
InChI InChI=1S/C24H20ClN3O2S2/c25-17-11-9-15(10-12-17)14-31-24-27-26-23(32-24)28-19-7-4-8-20(29)22(19)18(13-21(28)30)16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-14H2
InChIKey MICJUSALCZARAX-UHFFFAOYSA-N
Mol Weight 482.02 g/mol
Molecular Formula C24H20ClN3O2S2
Exact Mass 481.068547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 346qfar7rtk
Name 1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20ClN3O2S2
InChI InChI=1S/C24H20ClN3O2S2/c25-17-11-9-15(10-12-17)14-31-24-27-26-23(32-24)28-19-7-4-8-20(29)22(19)18(13-21(28)30)16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-14H2
InChIKey MICJUSALCZARAX-UHFFFAOYSA-N
Molecular Weight 482.016 g/mol
SMILES c1cccc(C2CC(=O)N(c3sc(nn3)SCc3ccc(cc3)Cl)C=3CCCC(=O)C23)c1
SPLASH splash10-004i-7930000000-68dd9e7c6ed315fbd038
Synonyms 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione 1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
Wiley ID 1512489