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Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
SpectraBase Compound ID A3tNUEsTHfn
InChI InChI=1S/C25H25Cl2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-18-10-6-16(26)7-11-18)36(3)23(29-19-12-8-17(27)9-13-19)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WEBKNDGHEPZZSM-UHFFFAOYSA-N
Mol Weight 646.58 g/mol
Molecular Formula C25H25Cl2N11O2S2
Exact Mass 645.101117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAr3T6F4TMT
Name Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number 118458-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25Cl2N11O2S2
InChI InChI=1S/C25H25Cl2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-18-10-6-16(26)7-11-18)36(3)23(29-19-12-8-17(27)9-13-19)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WEBKNDGHEPZZSM-UHFFFAOYSA-N
Molecular Weight 646.576 g/mol
SMILES N(\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)Cl)C)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)Cl
SPLASH splash10-0002-9300000000-12987217a718375ab94a
Source of Spectrum J-54-1268-2
Synonyms Imidodicarbonimidic diamide, n,2-bis(4-chlorophenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]- N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1-methyl-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]carbamimidamido]-N'-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methanimidamide
Wiley ID 1412870