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1-[6-(2-chloroanilino)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone
SpectraBase Compound ID GKVxsyU92tB
InChI InChI=1S/C18H14ClN3OS/c1-11(23)15-17(20-14-10-6-5-9-13(14)19)21-16(22-18(15)24)12-7-3-2-4-8-12/h2-10H,1H3,(H2,20,21,22,24)
InChIKey NMYFLMMJYFYTBC-UHFFFAOYSA-N
Mol Weight 355.84 g/mol
Molecular Formula C18H14ClN3OS
Exact Mass 355.054611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZzpS0c0tVv
Name 1-[6-(2-chloroanilino)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN3OS
InChI InChI=1S/C18H14ClN3OS/c1-11(23)15-17(20-14-10-6-5-9-13(14)19)21-16(22-18(15)24)12-7-3-2-4-8-12/h2-10H,1H3,(H2,20,21,22,24)
InChIKey NMYFLMMJYFYTBC-UHFFFAOYSA-N
Molecular Weight 355.843 g/mol
SMILES N1C(=NC(=C(C1=S)C(=O)C)Nc1c(Cl)cccc1)c1ccccc1
SPLASH splash10-05fr-0009000000-4c6204e96b52e2b0b6f5
Source of Spectrum F9-1993-1936-4
Synonyms 1-[6-(2-chloroanilino)-2-phenyl-4-thioxo-1H-pyrimidin-5-yl]ethanone 1-[6-[(2-chlorophenyl)amino]-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone
Wiley ID 1566831