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2-[(4-benzyl-1-piperidinyl)methyl]-5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID HKpveaURtpo
InChI InChI=1S/C28H30N4S/c1-22-12-14-25(15-13-22)27-29-31(28(33)32(27)26-10-6-3-7-11-26)21-30-18-16-24(17-19-30)20-23-8-4-2-5-9-23/h2-15,24H,16-21H2,1H3
InChIKey FCXSKWVWZUXSSJ-UHFFFAOYSA-N
Mol Weight 454.64 g/mol
Molecular Formula C28H30N4S
Exact Mass 454.219118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmmPiMUSvyf
Name 2-[(4-benzyl-1-piperidyl)methyl]-4-phenyl-5-(p-tolyl)-1,2,4-triazole-3-thione
Alternate Name(s) 2-[(4-benzylpiperidin-1-yl)methyl]-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole-3-thione 2-[(4-benzylpiperidino)methyl]-4-phenyl-5-(p-tolyl)-1,2,4-triazole-3-thione 5-(4-Methylphenyl)-4-phenyl-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,4-triazole-3-thione 5-(4-Methylphenyl)-4-phenyl-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
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Formula C28H30N4S
InChI InChI=1S/C28H30N4S/c1-22-12-14-25(15-13-22)27-29-31(28(33)32(27)26-10-6-3-7-11-26)21-30-18-16-24(17-19-30)20-23-8-4-2-5-9-23/h2-15,24H,16-21H2,1H3
InChIKey FCXSKWVWZUXSSJ-UHFFFAOYSA-N
Molecular Weight 454.636 g/mol
SMILES c1ccc(N2C(N(N=C2c2ccc(cc2)C)CN2CCC(Cc3ccccc3)CC2)=S)cc1
SPLASH splash10-000i-2920000000-2bb422757c82c59e4300
Wiley ID 1462096