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4-[[4-(3-chlorophenyl)-5-[(3-chlorophenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one

View entire compound with spectra: 1 MS (GC)

4-[[4-(3-chlorophenyl)-5-[(3-chlorophenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
SpectraBase Compound ID 75IZ12P7DwT
InChI InChI=1S/C19H16Cl2N8OS/c1-11-16(30)29(19(31-2)26-23-11)27-18-25-24-17(22-14-7-3-5-12(20)9-14)28(18)15-8-4-6-13(21)10-15/h3-10H,1-2H3,(H,22,24)(H,25,27)
InChIKey SVYQFSQSTAWHPZ-UHFFFAOYSA-N
Mol Weight 475.36 g/mol
Molecular Formula C19H16Cl2N8OS
Exact Mass 474.054484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClGXa400qH
Name 4-[[4-(3-chlorophenyl)-5-[(3-chlorophenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CAS Registry Number 111969-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16Cl2N8OS
InChI InChI=1S/C19H16Cl2N8OS/c1-11-16(30)29(19(31-2)26-23-11)27-18-25-24-17(22-14-7-3-5-12(20)9-14)28(18)15-8-4-6-13(21)10-15/h3-10H,1-2H3,(H,22,24)(H,25,27)
InChIKey SVYQFSQSTAWHPZ-UHFFFAOYSA-N
Molecular Weight 475.358 g/mol
SMILES N(c1[n](c(nn1)Nc1cc(Cl)ccc1)-c1cc(Cl)ccc1)N1C(C(C)=NN=C1SC)=O
SPLASH splash10-014i-9501000000-0ebbf9e0e010a8fe26f9
Source of Spectrum F-43-796-2
Synonyms 4-[[5-(3-chloroanilino)-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one 4-[[5-(3-chloroanilino)-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
Wiley ID 1393740