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2-(4-Methylphenyl)-4-(3-methoxyphenyl)amino-5-phenyl-7-methylthioimidazo[5.1-f][1,2,4]triazine

View entire compound with spectra: 1 MS (GC)

2-(4-Methylphenyl)-4-(3-methoxyphenyl)amino-5-phenyl-7-methylthioimidazo[5.1-f][1,2,4]triazine
SpectraBase Compound ID LxfdVmrOsm1
InChI InChI=1S/C26H23N5OS/c1-17-12-14-19(15-13-17)24-29-25(27-20-10-7-11-21(16-20)32-2)23-22(18-8-5-4-6-9-18)28-26(33-3)31(23)30-24/h4-16H,1-3H3,(H,27,29,30)
InChIKey KDBJTQIFYBYFGH-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C26H23N5OS
Exact Mass 453.162332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3mr7NoQpMg
Name 2-(4-Methylphenyl)-4-(3-methoxyphenyl)amino-5-phenyl-7-methylthioimidazo[5.1-f][1,2,4]triazine
Alternate Name(s) N-(3-methoxyphenyl)-2-(4-methylphenyl)-7-(methylsulfanyl)-5-phenylimidazo[5,1-f][1,2,4]triazin-4-amine N-(3-methoxyphenyl)-N-[2-(4-methylphenyl)-7-(methylsulfanyl)-5-phenylimidazo[5,1-f][1,2,4]triazin-4-yl]amine
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Formula C26H23N5OS
InChI InChI=1S/C26H23N5OS/c1-17-12-14-19(15-13-17)24-29-25(27-20-10-7-11-21(16-20)32-2)23-22(18-8-5-4-6-9-18)28-26(33-3)31(23)30-24/h4-16H,1-3H3,(H,27,29,30)
InChIKey KDBJTQIFYBYFGH-UHFFFAOYSA-N
Molecular Weight 453.564 g/mol
SMILES N(C1=NC(=N[n]2c1c(nc2SC)-c1ccccc1)c1ccc(cc1)C)c1cc(ccc1)OC
SPLASH splash10-0ufr-3410900000-595ddc566f9783469704
Source of Spectrum SO-0-846-10
Wiley ID 1541072