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(4-methylphenyl)-[6-(4-methylphenyl)-4-(methylthio)-1-phenyl-2-sulfanylidene-3-pyridinyl]methanone
SpectraBase Compound ID DPcXQxmFtIk
InChI InChI=1S/C27H23NOS2/c1-18-9-13-20(14-10-18)23-17-24(31-3)25(26(29)21-15-11-19(2)12-16-21)27(30)28(23)22-7-5-4-6-8-22/h4-17H,1-3H3
InChIKey XTANAQKJFVDPBS-UHFFFAOYSA-N
Mol Weight 441.61 g/mol
Molecular Formula C27H23NOS2
Exact Mass 441.122107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gRN8bMV7j
Name (4-methylphenyl)-[6-(4-methylphenyl)-4-(methylthio)-1-phenyl-2-sulfanylidene-3-pyridinyl]methanone
CAS Registry Number 120105-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NOS2
InChI InChI=1S/C27H23NOS2/c1-18-9-13-20(14-10-18)23-17-24(31-3)25(26(29)21-15-11-19(2)12-16-21)27(30)28(23)22-7-5-4-6-8-22/h4-17H,1-3H3
InChIKey XTANAQKJFVDPBS-UHFFFAOYSA-N
Molecular Weight 441.607 g/mol
SMILES C=1(C(N(c2ccccc2)C(=CC1SC)c1ccc(cc1)C)=S)C(c1ccc(cc1)C)=O
SPLASH splash10-03dl-0000900000-c8464aa5dbdf8a07971f
Source of Spectrum Y-25-1132-6
Synonyms (4-methylphenyl)-[6-(4-methylphenyl)-4-methylsulfanyl-1-phenyl-2-sulfanylidene-pyridin-3-yl]methanone (4-methylphenyl)[6-(4-methylphenyl)-4-(methylsulfanyl)-1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl]methanone [4-(methylthio)-1-phenyl-6-(p-tolyl)-2-thioxo-3-pyridyl]-(p-tolyl)methanone [4-methylsulfanyl-1-phenyl-6-(p-tolyl)-2-thioxo-3-pyridyl]-(p-tolyl)methanone
Wiley ID 1385108