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4-cyclopentyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-cyclopentyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 6cqPBZZfrZB
InChI InChI=1S/C12H14N4S/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)
InChIKey WKYMKHAAKPHMAD-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C12H14N4S
Exact Mass 246.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H2SZ5dxRvP
Name 4-cyclopentyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 4-cyclopentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 4-Cyclopentyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol 4H-[1,2,4]Triazole-3-thiol, 4-cyclopentyl-5-pyridin-4-yl-
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Formula C12H14N4S
InChI InChI=1S/C12H14N4S/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)
InChIKey WKYMKHAAKPHMAD-UHFFFAOYSA-N
Molecular Weight 246.332 g/mol
SMILES Sc1[n](c(nn1)-c1ccncc1)C1CCCC1
SPLASH splash10-00p3-9300000000-48802ae1f565369a2961
Wiley ID 1439122