Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-(2-hydroxyethyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-

SpectraBase Compound ID	7wIN3b4cDi1
InChI	InChI=1S/C26H27Cl2N11O3S2/c1-15-21(41)38(25(43-3)33-31-15)35-23(29-19-9-5-17(27)6-10-19)37(13-14-40)24(30-20-11-7-18(28)8-12-20)36-39-22(42)16(2)32-34-26(39)44-4/h5-12,40H,13-14H2,1-4H3,(H,29,35)(H,30,36)
InChIKey	HOFXZNUWKBSNNA-UHFFFAOYSA-N Google Search
Mol Weight	676.6 g/mol
Molecular Formula	C26H27Cl2N11O3S2
Exact Mass	675.111682 g/mol

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SpectraBase Spectrum ID	9HJ8eYQgV51
Name	Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-(2-hydroxyethyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number	118458-69-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H27Cl2N11O3S2
InChI	InChI=1S/C26H27Cl2N11O3S2/c1-15-21(41)38(25(43-3)33-31-15)35-23(29-19-9-5-17(27)6-10-19)37(13-14-40)24(30-20-11-7-18(28)8-12-20)36-39-22(42)16(2)32-34-26(39)44-4/h5-12,40H,13-14H2,1-4H3,(H,29,35)(H,30,36)
InChIKey	HOFXZNUWKBSNNA-UHFFFAOYSA-N
Molecular Weight	676.602 g/mol
SMILES	N(\C(N(CCO)\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)Cl)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)Cl
SPLASH	splash10-0002-9500000000-52fc0a8ca32783d5b01b
Source of Spectrum	J-54-1268-2
Synonyms	Imidodicarbonimidic diamide, n,2-bis(4-chlorophenyl)-N'-(2-hydroxyethyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]- N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)-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	1414118