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

SpectraBase Compound ID	2VUkjy650EZ
InChI	InChI=1S/C33H35N11O5S2/c1-20-28(45)43(32(50-6)38-36-20)40-30(34-22-8-14-25(47-3)15-9-22)42(24-12-18-27(49-5)19-13-24)31(35-23-10-16-26(48-4)17-11-23)41-44-29(46)21(2)37-39-33(44)51-7/h8-19H,1-7H3,(H,34,40)(H,35,41)
InChIKey	HJRDITZFHAYXQA-UHFFFAOYSA-N Google Search
Mol Weight	729.8 g/mol
Molecular Formula	C33H35N11O5S2
Exact Mass	729.226406 g/mol

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SpectraBase Spectrum ID	HP2m4tgQM2R
Name	Imidodicarbonimidic diamide, N,N',2-tris(4-methoxyphenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number	118458-74-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H35N11O5S2
InChI	InChI=1S/C33H35N11O5S2/c1-20-28(45)43(32(50-6)38-36-20)40-30(34-22-8-14-25(47-3)15-9-22)42(24-12-18-27(49-5)19-13-24)31(35-23-10-16-26(48-4)17-11-23)41-44-29(46)21(2)37-39-33(44)51-7/h8-19H,1-7H3,(H,34,40)(H,35,41)
InChIKey	HJRDITZFHAYXQA-UHFFFAOYSA-N
Molecular Weight	729.835 g/mol
SMILES	N(N1C(C(C)=NN=C1SC)=O)\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)OC)c1ccc(cc1)OC)=N\c1ccc(cc1)OC
SPLASH	splash10-0f72-5490000000-6a855ede24be90eb428e
Source of Spectrum	J-54-1268-2
Synonyms	1-[3,1-bis(4-methoxyphenyl)-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]carbamimidamido]-N'-(4-methoxyphenyl)-N-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methanimidamide Imidodicarbonimidic diamide, N,N',2-tris(4-methoxyphenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
Wiley ID	1415885