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N-(p-Chlorophenyl)-N'-(2,6-dimethyl-3-thioxo-5-oxo-4-[1,2,4]triazinyll)thiourea
SpectraBase Compound ID DT2WtqzAUVQ
InChI InChI=1S/C12H12ClN5OS2/c1-7-10(19)18(12(21)17(2)15-7)16-11(20)14-9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H2,14,16,20)
InChIKey ROKVSUFWSJUSMB-UHFFFAOYSA-N
Mol Weight 341.84 g/mol
Molecular Formula C12H12ClN5OS2
Exact Mass 341.01718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QgC862YAkL
Name N-(p-Chlorophenyl)-N'-(2,6-dimethyl-3-thioxo-5-oxo-4-[1,2,4]triazinyll)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN5OS2
InChI InChI=1S/C12H12ClN5OS2/c1-7-10(19)18(12(21)17(2)15-7)16-11(20)14-9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H2,14,16,20)
InChIKey ROKVSUFWSJUSMB-UHFFFAOYSA-N
Molecular Weight 341.835 g/mol
SMILES N(N1C(N(C)N=C(C1=O)C)=S)C(Nc1ccc(cc1)Cl)=S
SPLASH splash10-01rj-2902000000-03a2a66ae9d13c47e8ba
Source of Spectrum F-47-6758-13
Synonyms N-(4-chlorophenyl)-N'-(2,6-dimethyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazin-4(3H)-yl)thiourea
Wiley ID 1335722