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1,3-Bis(4-chloro-phenyl)-5-dimethylamino-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-biguanide
SpectraBase Compound ID DbuSd7kgTuV
InChI InChI=1S/C26H28Cl2N12O2S2/c1-15-21(41)39(25(43-5)32-30-15)35-23(29-19-11-7-17(27)8-12-19)38(20-13-9-18(28)10-14-20)24(34-37(3)4)36-40-22(42)16(2)31-33-26(40)44-6/h7-14H,1-6H3,(H,29,35)(H,34,36)
InChIKey CTYSZSKTASXJMD-UHFFFAOYSA-N
Mol Weight 675.62 g/mol
Molecular Formula C26H28Cl2N12O2S2
Exact Mass 674.127666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgUK3fH2YhM
Name 1,2-bis(4-chlorophenyl)-1-[(E)-(2,2-dimethylhydrazinyl)-[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]imino]methyl]-3-[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]guanidine
CAS Registry Number 118458-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28Cl2N12O2S2
InChI InChI=1S/C26H28Cl2N12O2S2/c1-15-21(41)39(25(43-5)32-30-15)35-23(29-19-11-7-17(27)8-12-19)38(20-13-9-18(28)10-14-20)24(34-37(3)4)36-40-22(42)16(2)31-33-26(40)44-6/h7-14H,1-6H3,(H,29,35)(H,34,36)
InChIKey CTYSZSKTASXJMD-UHFFFAOYSA-N
Molecular Weight 675.618 g/mol
SMILES N(\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)NN(C)C)c1ccc(cc1)Cl)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)Cl
SPLASH splash10-014i-9200000000-b78985717fe2d58166b3
Source of Spectrum J-54-1268-2
Synonyms 1,2-bis(4-chlorophenyl)-1-[(E)-N-(dimethylamino)-N'-(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)carbamimidoyl]-3-(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)guanidine 1,2-bis(4-chlorophenyl)-1-[(E)-N-(dimethylamino)-N'-(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)carbamimidoyl]-3-(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)guanidine 1,2-bis(4-chlorophenyl)-1-[(E)-N-(dimethylamino)-N'-[5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]amidino]-3-[5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]guanidine
Wiley ID 1414066