4-(((3Z,5Z)-4-(4-Chlorophenyl)-5-[(4-chlorophenyl)imino]-2-methyl-1,2,4-triazolidin-3-ylidene)amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one

SpectraBase Compound ID	HtPK3tcr2KM
InChI	InChI=1S/C20H18Cl2N8OS/c1-12-17(31)30(20(32-3)25-24-12)27-19-28(2)26-18(23-15-8-4-13(21)5-9-15)29(19)16-10-6-14(22)7-11-16/h4-11H,1-3H3,(H,23,26)/b27-19+
InChIKey	XUXGRTIQWZIJDX-ZXVVBBHZSA-N Google Search
Mol Weight	489.39 g/mol
Molecular Formula	C20H18Cl2N8OS
Exact Mass	488.070134 g/mol

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SpectraBase Spectrum ID	AlOlQh49gip
Name	4-(((3Z,5Z)-4-(4-Chlorophenyl)-5-[(4-chlorophenyl)imino]-2-methyl-1,2,4-triazolidin-3-ylidene)amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
CAS Registry Number	111969-44-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H18Cl2N8OS
InChI	InChI=1S/C20H18Cl2N8OS/c1-12-17(31)30(20(32-3)25-24-12)27-19-28(2)26-18(23-15-8-4-13(21)5-9-15)29(19)16-10-6-14(22)7-11-16/h4-11H,1-3H3,(H,23,26)/b27-19+
InChIKey	XUXGRTIQWZIJDX-ZXVVBBHZSA-N
Molecular Weight	489.385 g/mol
SMILES	N(C=1N(\C(=N\N2C(C(C)=NN=C2SC)=O)N(N1)C)c1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH	splash10-000t-8409000000-ff3665e25406dfb5dd4a
Source of Spectrum	F-43-797-5
Synonyms	2-Methyl-4-(4-chlorophenyl)-5-(4-chlorophenyl)imino-3-[6-methyl-3-(methylthio)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]imino-2H-2,3-dihydro-1,2,4-triazole 4-[(Z)-[4-(4-chlorophenyl)-5-[(4-chlorophenyl)amino]-2-methyl-1,2,4-triazol-3-ylidene]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one 4-[(Z)-[5-(4-chloroanilino)-4-(4-chlorophenyl)-2-methyl-1,2,4-triazol-3-ylidene]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one 4-[(Z)-[5-(4-chloroanilino)-4-(4-chlorophenyl)-2-methyl-1,2,4-triazol-3-ylidene]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
Wiley ID	1396789