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1-(3-Cyano-5,6-dihydro-4-(2'-thienyl)-benzo[h]quinolin-2-ylthio)acetyl-4-phenyl-3-thiosemicarbazide
SpectraBase Compound ID BTJZud5hQcH
InChI InChI=1S/C27H21N5OS3/c28-15-21-24(22-11-6-14-35-22)20-13-12-17-7-4-5-10-19(17)25(20)30-26(21)36-16-23(33)31-32-27(34)29-18-8-2-1-3-9-18/h1-11,14H,12-13,16H2,(H,31,33)(H2,29,32,34)
InChIKey QQQBXIOZENPIRR-UHFFFAOYSA-N
Mol Weight 527.68 g/mol
Molecular Formula C27H21N5OS3
Exact Mass 527.090824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vqmwjKxfs
Name 1-(3-Cyano-5,6-dihydro-4-(2'-thienyl)-benzo[h]quinolin-2-ylthio)acetyl-4-phenyl-3-thiosemicarbazide
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N5OS3
InChI InChI=1S/C27H21N5OS3/c28-15-21-24(22-11-6-14-35-22)20-13-12-17-7-4-5-10-19(17)25(20)30-26(21)36-16-23(33)31-32-27(34)29-18-8-2-1-3-9-18/h1-11,14H,12-13,16H2,(H,31,33)(H2,29,32,34)
InChIKey QQQBXIOZENPIRR-UHFFFAOYSA-N
Instrument Name JEOL JMS -600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2451
Molecular Weight 527.679 g/mol
SMILES N(C(CSc1nc2-c3ccccc3CCc2c(c1C#N)-c1sccc1)=O)NC(=S)Nc1ccccc1
SPLASH splash10-004r-9803000000-a159561205193fd02b51
Source of Spectrum Y-53-1485-10
Wiley ID 1876595