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

SpectraBase Compound ID	HhjnKisatXy
InChI	InChI=1S/C30H26Cl3N11O2S2/c1-17-25(45)43(29(47-3)38-36-17)40-27(34-22-11-5-19(31)6-12-22)42(24-15-9-21(33)10-16-24)28(35-23-13-7-20(32)8-14-23)41-44-26(46)18(2)37-39-30(44)48-4/h5-16H,1-4H3,(H,34,40)(H,35,41)
InChIKey	PRQIAUMNDMVSBT-UHFFFAOYSA-N Google Search
Mol Weight	743.09 g/mol
Molecular Formula	C30H26Cl3N11O2S2
Exact Mass	741.077795 g/mol

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SpectraBase Spectrum ID	FJ7GdmUf8Vx
Name	Imidodicarbonimidic diamide, N,N',2-tris(4-chlorophenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number	118458-73-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H26Cl3N11O2S2
InChI	InChI=1S/C30H26Cl3N11O2S2/c1-17-25(45)43(29(47-3)38-36-17)40-27(34-22-11-5-19(31)6-12-22)42(24-15-9-21(33)10-16-24)28(35-23-13-7-20(32)8-14-23)41-44-26(46)18(2)37-39-30(44)48-4/h5-16H,1-4H3,(H,34,40)(H,35,41)
InChIKey	PRQIAUMNDMVSBT-UHFFFAOYSA-N
Molecular Weight	743.092 g/mol
SMILES	N(N1C(C(C)=NN=C1SC)=O)\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)Cl)c1ccc(cc1)Cl)=N\c1ccc(cc1)Cl
SPLASH	splash10-01ot-9621000000-e86a8a0bfad1c134c37c
Source of Spectrum	J-54-1268-2
Synonyms	1-[3,1-bis(4-chlorophenyl)-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]carbamimidamido]-N'-(4-chlorophenyl)-N-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methanimidamide Imidodicarbonimidic diamide, N,N',2-tris(4-chlorophenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
Wiley ID	1416123