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1-[3-(1H-indol-3-yl)-2-phenyl-4-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 3CNDiEObXRb
InChI InChI=1S/C25H22N4O/c1-17-12-14-19(15-13-17)28-24(18(2)30)27-29(20-8-4-3-5-9-20)25(28)22-16-26-23-11-7-6-10-21(22)23/h3-16,25-26H,1-2H3
InChIKey CICVFZXQIIXHQU-UHFFFAOYSA-N
Mol Weight 394.48 g/mol
Molecular Formula C25H22N4O
Exact Mass 394.179361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2Xs84FH8af
Name 1-[3-(1H-indol-3-yl)-2-phenyl-4-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
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Formula C25H22N4O
InChI InChI=1S/C25H22N4O/c1-17-12-14-19(15-13-17)28-24(18(2)30)27-29(20-8-4-3-5-9-20)25(28)22-16-26-23-11-7-6-10-21(22)23/h3-16,25-26H,1-2H3
InChIKey CICVFZXQIIXHQU-UHFFFAOYSA-N
Molecular Weight 394.478 g/mol
SMILES [nH]1c2c(c(c1)C1N(C(=NN1c1ccccc1)C(=O)C)c1ccc(cc1)C)cccc2
SPLASH splash10-0006-2279000000-56353a731201fa8904d4
Synonyms 1-[3-(1H-indol-3-yl)-4-(4-methylphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[5-(1H-indol-3-yl)-4-(4-methylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Wiley ID 1452761