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2-(4-Chlorophenyl)-3-(1H-indol-3-yl)-4-(4-methylphenyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 1fQeNVoT3Ns
InChI InChI=1S/C26H23ClN4O2/c1-3-33-26(32)24-29-31(20-14-10-18(27)11-15-20)25(30(24)19-12-8-17(2)9-13-19)22-16-28-23-7-5-4-6-21(22)23/h4-16,25,28H,3H2,1-2H3
InChIKey KJSKJXJPDHGLQJ-UHFFFAOYSA-N
Mol Weight 458.95 g/mol
Molecular Formula C26H23ClN4O2
Exact Mass 458.150954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45X5F97CRE
Name 2-(4-Chlorophenyl)-3-(1H-indol-3-yl)-4-(4-methylphenyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
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Formula C26H23ClN4O2
InChI InChI=1S/C26H23ClN4O2/c1-3-33-26(32)24-29-31(20-14-10-18(27)11-15-20)25(30(24)19-12-8-17(2)9-13-19)22-16-28-23-7-5-4-6-21(22)23/h4-16,25,28H,3H2,1-2H3
InChIKey KJSKJXJPDHGLQJ-UHFFFAOYSA-N
Molecular Weight 458.949 g/mol
SMILES [nH]1c2c(c(c1)C1N(C(=NN1c1ccc(cc1)Cl)C(=O)OCC)c1ccc(cc1)C)cccc2
SPLASH splash10-0a4i-1281900000-d1bffa6e7e07d3122ffc
Synonyms 2-(4-Chlorophenyl)-3-(1H-indol-3-yl)-4-(p-tolyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate Ethyl 2-(4-chlorophenyl)-3-(1H-indol-3-yl)-4-(4-methylphenyl)-3H-1,2,4-triazole-5-carboxylate Ethyl 2-(4-chlorophenyl)-3-(1H-indol-3-yl)-4-(p-tolyl)-3H-1,2,4-triazole-5-carboxylate
Wiley ID 1454702