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2-[(4-benzhydryl-1-piperazinyl)methyl]-5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 8cgzxWNiT4U
InChI InChI=1S/C28H31N5OS/c1-30-27(24-13-15-25(34-2)16-14-24)29-33(28(30)35)21-31-17-19-32(20-18-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,17-21H2,1-2H3
InChIKey ADNLEOSIQSMVKA-UHFFFAOYSA-N
Mol Weight 485.65 g/mol
Molecular Formula C28H31N5OS
Exact Mass 485.224932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5exu9TQBZG0
Name 2-[(4-benzhydryl-1-piperazinyl)methyl]-5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione 2-[(4-benzhydrylpiperazino)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
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Formula C28H31N5OS
InChI InChI=1S/C28H31N5OS/c1-30-27(24-13-15-25(34-2)16-14-24)29-33(28(30)35)21-31-17-19-32(20-18-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,17-21H2,1-2H3
InChIKey ADNLEOSIQSMVKA-UHFFFAOYSA-N
Molecular Weight 485.650 g/mol
SMILES c1ccc(C(N2CCN(CN3C(N(C)C(=N3)c3ccc(cc3)OC)=S)CC2)c2ccccc2)cc1
SPLASH splash10-014i-6930000000-53ba0b571940f6246993
Wiley ID 1436807