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3-(4-Methoxyphenyl)-5-[(2-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4-Methoxyphenyl)-5-[(2-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 4zp6nDTXJzq
InChI InChI=1S/C22H18N4O3S/c1-29-19-13-11-16(12-14-19)21-23-24-22(25(21)18-8-3-2-4-9-18)30-15-17-7-5-6-10-20(17)26(27)28/h2-14H,15H2,1H3
InChIKey AUCQLVCPXMHDRP-UHFFFAOYSA-N
Mol Weight 418.47 g/mol
Molecular Formula C22H18N4O3S
Exact Mass 418.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rxjK0FgnpY
Name 3-(4-Methoxyphenyl)-5-[(2-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-(4-Methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(4-Methoxyphenyl)-5-[(2-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole
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Formula C22H18N4O3S
InChI InChI=1S/C22H18N4O3S/c1-29-19-13-11-16(12-14-19)21-23-24-22(25(21)18-8-3-2-4-9-18)30-15-17-7-5-6-10-20(17)26(27)28/h2-14H,15H2,1H3
InChIKey AUCQLVCPXMHDRP-UHFFFAOYSA-N
Molecular Weight 418.471 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(N(=O)=O)cccc2)-c2ccc(cc2)OC)cc1
SPLASH splash10-0059-9551100000-5efaab084e48a4a241fa
Wiley ID 1461019