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2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-thione

View entire compound with spectra: 1 MS (GC)

2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
SpectraBase Compound ID 3vR3WpDQkSL
InChI InChI=1S/C29H33N5O2S/c1-31-28(24-14-15-25(35-2)26(20-24)36-3)30-34(29(31)37)21-32-16-18-33(19-17-32)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,16-19,21H2,1-3H3
InChIKey KFMNVDYWNPTLES-UHFFFAOYSA-N
Mol Weight 515.7 g/mol
Molecular Formula C29H33N5O2S
Exact Mass 515.235496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVasaJtGum9
Name 2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
Alternate Name(s) 2-[(4-benzhydrylpiperazino)methyl]-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-thione 5-(3,4-dimethoxyphenyl)-2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-methyl-1,2,4-triazole-3-thione 5-(3,4-dimethoxyphenyl)-2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
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Formula C29H33N5O2S
InChI InChI=1S/C29H33N5O2S/c1-31-28(24-14-15-25(35-2)26(20-24)36-3)30-34(29(31)37)21-32-16-18-33(19-17-32)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,16-19,21H2,1-3H3
InChIKey KFMNVDYWNPTLES-UHFFFAOYSA-N
Molecular Weight 515.676 g/mol
SMILES c1ccc(C(N2CCN(CN3C(N(C)C(=N3)c3cc(OC)c(cc3)OC)=S)CC2)c2ccccc2)cc1
SPLASH splash10-014i-4940000000-075a5a61ba541f6e1af9
Wiley ID 1436816