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4-[[4-(4-methoxyphenyl)-5-(p-anisidino)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one
SpectraBase Compound ID FIh82O9xzQD
InChI InChI=1S/C21H22N8O3S/c1-13-18(30)29(21(33-4)26-23-13)27-20-25-24-19(22-14-5-9-16(31-2)10-6-14)28(20)15-7-11-17(32-3)12-8-15/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey FEFWUUGACZOXGK-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 FpvM74LSPwL
Name 4-[[4-(4-methoxyphenyl)-5-(p-anisidino)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one
CAS Registry Number 111969-34-7
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(22-14-5-9-16(31-2)10-6-14)28(20)15-7-11-17(32-3)12-8-15/h5-12H,1-4H3,(H,22,24)(H,25,27)
InChIKey FEFWUUGACZOXGK-UHFFFAOYSA-N
Molecular Weight 466.520 g/mol
SMILES N(c1[n](c(nn1)Nc1ccc(cc1)OC)-c1ccc(cc1)OC)N1C(C(C)=NN=C1SC)=O
SPLASH splash10-0292-9533000000-a03b53ced3877fa43773
Source of Spectrum F-43-796-2
Synonyms 4-[[4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one 4-[[5-(4-methoxyanilino)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one 4-[[5-(4-methoxyanilino)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
Wiley ID 1391871