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(5E)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID K3r4wELJf3T
InChI InChI=1S/C16H12ClN3O2S/c1-19-7-3-6-11(19)9-13-14(21)18-16(23)20(15(13)22)12-5-2-4-10(17)8-12/h2-9H,1H3,(H,18,21,23)/b13-9+
InChIKey HVNPYWGQHZTHFA-UKTHLTGXSA-N
Mol Weight 345.8 g/mol
Molecular Formula C16H12ClN3O2S
Exact Mass 345.033876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oA9MzaqcVz
Name (5E)-1-(3-chlorophenyl)-5-[(1-methyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN3O2S
InChI InChI=1S/C16H12ClN3O2S/c1-19-7-3-6-11(19)9-13-14(21)18-16(23)20(15(13)22)12-5-2-4-10(17)8-12/h2-9H,1H3,(H,18,21,23)/b13-9+
InChIKey HVNPYWGQHZTHFA-UKTHLTGXSA-N
Molecular Weight 345.804 g/mol
SMILES N1C(\C(C(N(C1=S)c1cc(Cl)ccc1)=O)=C\c1[n](ccc1)C)=O
SPLASH splash10-0kam-7903000000-837604b77d7a76fd3974
Synonyms (5E)-1-(3-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(3-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone (5E)-1-(3-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1453262