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6-(3-Chlorophenylamino)-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(3-chlorophenyl)-4-(4-nitrophenyl)-1,2-dihydro-1,3,5-triazine

View entire compound with spectra: 1 MS (GC)

6-(3-Chlorophenylamino)-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(3-chlorophenyl)-4-(4-nitrophenyl)-1,2-dihydro-1,3,5-triazine
SpectraBase Compound ID Adhk4T9qXaZ
InChI InChI=1S/C26H19Cl2N9O3S/c1-15-23(38)36(26(41-2)33-32-15)34-25-31-22(16-9-11-20(12-10-16)37(39)40)30-24(29-19-7-3-5-17(27)13-19)35(25)21-8-4-6-18(28)14-21/h3-14H,1-2H3,(H,29,30,31,34)
InChIKey KQHDUHBDWUXQSN-UHFFFAOYSA-N
Mol Weight 608.46 g/mol
Molecular Formula C26H19Cl2N9O3S
Exact Mass 607.070862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4knBGOJshSQ
Name 6-(3-Chlorophenylamino)-2-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1-(3-chlorophenyl)-4-(4-nitrophenyl)-1,2-dihydro-1,3,5-triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19Cl2N9O3S
InChI InChI=1S/C26H19Cl2N9O3S/c1-15-23(38)36(26(41-2)33-32-15)34-25-31-22(16-9-11-20(12-10-16)37(39)40)30-24(29-19-7-3-5-17(27)13-19)35(25)21-8-4-6-18(28)14-21/h3-14H,1-2H3,(H,29,30,31,34)
InChIKey KQHDUHBDWUXQSN-UHFFFAOYSA-N
Molecular Weight 608.464 g/mol
SMILES N(C=1N(\C(N=C(N1)c1ccc(cc1)N(=O)=O)=N\N1C(=NN=C(C1=O)C)SC)c1cc(ccc1)Cl)c1cc(ccc1)Cl
SPLASH splash10-0002-9710100000-e62c5940471ad5ce208d
Source of Spectrum SO-0-151-4
Synonyms 4-[((2E)-6-(3-chloroanilino)-1-(3-chlorophenyl)-4-(4-nitrophenyl)-1,3,5-triazin-2(1H)-ylidene)amino]-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 1539796