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4-{[(4-Fluorophenyl)methylene]amino}-5-pyridin-4-yl-2-[(4-methylpiperazin-1-yl)methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

View entire compound with spectra: 1 MS (GC)

4-{[(4-Fluorophenyl)methylene]amino}-5-pyridin-4-yl-2-[(4-methylpiperazin-1-yl)methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID L4LjJTVLtAT
InChI InChI=1S/C20H22FN7S/c1-25-10-12-26(13-11-25)15-27-20(29)28(19(24-27)17-6-8-22-9-7-17)23-14-16-2-4-18(21)5-3-16/h2-9,14H,10-13,15H2,1H3
InChIKey GSOPCBYTGPMZJB-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C20H22FN7S
Exact Mass 411.164143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lIcaBGvcmF
Name 4-{[(4-Fluorophenyl)methylene]amino}-5-pyridin-4-yl-2-[(4-methylpiperazin-1-yl)methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
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Formula C20H22FN7S
InChI InChI=1S/C20H22FN7S/c1-25-10-12-26(13-11-25)15-27-20(29)28(19(24-27)17-6-8-22-9-7-17)23-14-16-2-4-18(21)5-3-16/h2-9,14H,10-13,15H2,1H3
InChIKey GSOPCBYTGPMZJB-UHFFFAOYSA-N
Molecular Weight 411.503 g/mol
SMILES C1(N(C(=NN1CN1CCN(CC1)C)c1ccncc1)N=Cc1ccc(F)cc1)=S
SPLASH splash10-01y9-0900000000-2db879a19604eef5f53e
Source of Spectrum F2-44-4365-8
Wiley ID 1705657