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4-[[4-(3-methoxyphenyl)-5-[(3-methoxyphenyl)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-methoxyphenyl)-5-[(3-methoxyphenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
SpectraBase Compound ID CNREQFyAXDX
InChI InChI=1S/C21H22N8O3S/c1-13-18(30)29(21(33-4)26-23-13)27-20-25-24-19(22-14-7-5-9-16(11-14)31-2)28(20)15-8-6-10-17(12-15)32-3/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey SMZQDIFNEIBZHD-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C21H22N8O3S
Exact Mass 466.153558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJrtQxXKm5l
Name 4-[[4-(3-methoxyphenyl)-5-[(3-methoxyphenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CAS Registry Number 111981-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N8O3S
InChI InChI=1S/C21H22N8O3S/c1-13-18(30)29(21(33-4)26-23-13)27-20-25-24-19(22-14-7-5-9-16(11-14)31-2)28(20)15-8-6-10-17(12-15)32-3/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey SMZQDIFNEIBZHD-UHFFFAOYSA-N
Molecular Weight 466.520 g/mol
SMILES N(C1=NN\C(N1c1cc(OC)ccc1)=N/N1C(C(C)=NN=C1SC)=O)c1cc(OC)ccc1
SPLASH splash10-02ta-9302000000-fa39d8dd147d18b3c90a
Source of Spectrum F-43-796-2
Synonyms 4-[[5-(3-methoxyanilino)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one 4-[[5-(3-methoxyanilino)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one 4-[[5-(m-anisidino)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one
Wiley ID 1391870