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

SpectraBase Compound ID	L1hmEyq7qRF
InChI	InChI=1S/C32H33N11O3S2/c1-21-27(44)42(31(47-4)37-35-21)39-29(33-20-23-16-18-26(46-3)19-17-23)41(25-14-10-7-11-15-25)30(34-24-12-8-6-9-13-24)40-43-28(45)22(2)36-38-32(43)48-5/h6-19H,20H2,1-5H3,(H,33,39)(H,34,40)
InChIKey	DQLVHCROTCLMSG-UHFFFAOYSA-N Google Search
Mol Weight	683.8 g/mol
Molecular Formula	C32H33N11O3S2
Exact Mass	683.220926 g/mol

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SpectraBase Spectrum ID	EXot2MOxI19
Name	Imidodicarbonimidic diamide, N-[(4-methoxyphenyl)methyl]-N',N''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-N''',2-diphenyl-
CAS Registry Number	118458-71-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H33N11O3S2
InChI	InChI=1S/C32H33N11O3S2/c1-21-27(44)42(31(47-4)37-35-21)39-29(33-20-23-16-18-26(46-3)19-17-23)41(25-14-10-7-11-15-25)30(34-24-12-8-6-9-13-24)40-43-28(45)22(2)36-38-32(43)48-5/h6-19H,20H2,1-5H3,(H,33,39)(H,34,40)
InChIKey	DQLVHCROTCLMSG-UHFFFAOYSA-N
Molecular Weight	683.810 g/mol
SMILES	N(\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccccc1)c1ccccc1)=N/N1C(C(C)=NN=C1SC)=O)Cc1ccc(cc1)OC
SPLASH	splash10-00di-4910000000-e22115186b8561eda4ae
Source of Spectrum	J-54-1268-2
Synonyms	1-{3-[(4-methoxyphenyl)methyl]-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]-1-phenylcarbamimidamido}-N'-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]-N-phenylmethanimidamide Imidodicarbonimidic diamide, N-[(4-methoxyphenyl)methyl]-N',N''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-N''',2-diphenyl-
Wiley ID	1414431