For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
SpectraBase Compound ID KqakyWzIZDr
InChI InChI=1S/C32H31Cl2N11O3S2/c1-19-27(46)44(31(49-4)39-37-19)41-29(35-18-21-6-16-26(48-3)17-7-21)43(25-14-10-23(34)11-15-25)30(36-24-12-8-22(33)9-13-24)42-45-28(47)20(2)38-40-32(45)50-5/h6-17H,18H2,1-5H3,(H,35,41)(H,36,42)
InChIKey XMOJFIKCQSDKPF-UHFFFAOYSA-N
Mol Weight 752.7 g/mol
Molecular Formula C32H31Cl2N11O3S2
Exact Mass 751.142982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ex61wSD3eGe
Name Imidodicarbonimidic diamide, N,2-bis(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number 118458-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H31Cl2N11O3S2
InChI InChI=1S/C32H31Cl2N11O3S2/c1-19-27(46)44(31(49-4)39-37-19)41-29(35-18-21-6-16-26(48-3)17-7-21)43(25-14-10-23(34)11-15-25)30(36-24-12-8-22(33)9-13-24)42-45-28(47)20(2)38-40-32(45)50-5/h6-17H,18H2,1-5H3,(H,35,41)(H,36,42)
InChIKey XMOJFIKCQSDKPF-UHFFFAOYSA-N
Molecular Weight 752.700 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\Cc1ccc(cc1)OC
SPLASH splash10-00dj-5902000000-7ed6e60b12d92cdfe7f7
Source of Spectrum J-54-1268-2
Synonyms Imidodicarbonimidic diamide, n,2-bis(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]- N-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-[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 1416346