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1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(3-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-quinone
SpectraBase Compound ID 4fKOhzu6DBI
InChI InChI=1S/C22H18ClN3O2S3/c23-15-6-4-13(5-7-15)11-30-22-25-24-21(31-22)26-17-2-1-3-18(27)20(17)16(10-19(26)28)14-8-9-29-12-14/h4-9,12,16H,1-3,10-11H2
InChIKey LYGMFVZPHYYZIO-UHFFFAOYSA-N
Mol Weight 488.04 g/mol
Molecular Formula C22H18ClN3O2S3
Exact Mass 487.024968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e4bWc5yMUA
Name 1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(3-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClN3O2S3
InChI InChI=1S/C22H18ClN3O2S3/c23-15-6-4-13(5-7-15)11-30-22-25-24-21(31-22)26-17-2-1-3-18(27)20(17)16(10-19(26)28)14-8-9-29-12-14/h4-9,12,16H,1-3,10-11H2
InChIKey LYGMFVZPHYYZIO-UHFFFAOYSA-N
Molecular Weight 488.038 g/mol
SMILES c1(ccsc1)C1CC(=O)N(c2sc(nn2)SCc2ccc(cc2)Cl)C=2CCCC(=O)C12
SPLASH splash10-004i-7930000000-e06bfd18d33ef37f1318
Synonyms 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(3-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione 1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(3-thiophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
Wiley ID 1512536