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2-Amino-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-keto-4-p-phenetyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-Amino-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-keto-4-p-phenetyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID 7WsKQIxcS5O
InChI InChI=1S/C27H24ClN5O2S2/c1-2-35-19-12-8-17(9-13-19)23-20(14-29)25(30)33(21-4-3-5-22(34)24(21)23)26-31-32-27(37-26)36-15-16-6-10-18(28)11-7-16/h6-13,23H,2-5,15,30H2,1H3
InChIKey LDVREVWRQZTQNP-UHFFFAOYSA-N
Mol Weight 550.1 g/mol
Molecular Formula C27H24ClN5O2S2
Exact Mass 549.105995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbrlcKJJ1DY
Name 2-Amino-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-keto-4-p-phenetyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClN5O2S2
InChI InChI=1S/C27H24ClN5O2S2/c1-2-35-19-12-8-17(9-13-19)23-20(14-29)25(30)33(21-4-3-5-22(34)24(21)23)26-31-32-27(37-26)36-15-16-6-10-18(28)11-7-16/h6-13,23H,2-5,15,30H2,1H3
InChIKey LDVREVWRQZTQNP-UHFFFAOYSA-N
Molecular Weight 550.095 g/mol
SMILES NC1=C(C#N)C(C2=C(N1c1sc(SCc3ccc(Cl)cc3)nn1)CCCC2=O)c1ccc(cc1)OCC
SPLASH splash10-004i-9710000000-a6370f8396494b1c5de6
Synonyms 2-Amino-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Amino-1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(4-ethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1512537