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6-(4-Chlorophenyl)amino-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(4-chlorophenyl)-4-phenyl-1,2-dihydro-1,3,5-triazine

View entire compound with spectra: 1 MS (GC)

6-(4-Chlorophenyl)amino-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(4-chlorophenyl)-4-phenyl-1,2-dihydro-1,3,5-triazine
SpectraBase Compound ID Atg0su4x99G
InChI InChI=1S/C26H20Cl2N8OS/c1-16-23(37)36(26(38-2)33-32-16)34-25-31-22(17-6-4-3-5-7-17)30-24(29-20-12-8-18(27)9-13-20)35(25)21-14-10-19(28)11-15-21/h3-15H,1-2H3,(H,29,30,31,34)
InChIKey KSMBCEBPFBDOED-UHFFFAOYSA-N
Mol Weight 563.47 g/mol
Molecular Formula C26H20Cl2N8OS
Exact Mass 562.085784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjrVakcPsUt
Name 6-(4-Chlorophenyl)amino-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(4-chlorophenyl)-4-phenyl-1,2-dihydro-1,3,5-triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20Cl2N8OS
InChI InChI=1S/C26H20Cl2N8OS/c1-16-23(37)36(26(38-2)33-32-16)34-25-31-22(17-6-4-3-5-7-17)30-24(29-20-12-8-18(27)9-13-20)35(25)21-14-10-19(28)11-15-21/h3-15H,1-2H3,(H,29,30,31,34)
InChIKey KSMBCEBPFBDOED-UHFFFAOYSA-N
Molecular Weight 563.467 g/mol
SMILES N(C=1N(\C(N=C(N1)c1ccccc1)=N\N1C(=NN=C(C1=O)C)SC)c1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH splash10-0fb9-0930200000-dcbaed41d184978650d6
Source of Spectrum SO-0-151-4
Synonyms 4-[((2E)-6-(4-chloroanilino)-1-(4-chlorophenyl)-4-phenyl-1,3,5-triazin-2(1H)-ylidene)amino]-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 1539802