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Pyrrol5-[2-(1H-benzoimidazol-2-yl)ethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmorphoacetonitrile

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Pyrrol5-[2-(1H-benzoimidazol-2-yl)ethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmorphoacetonitrile
SpectraBase Compound ID E3ZWaEC55V2
InChI InChI=1S/C14H14N6S/c1-20-13(18-19-14(20)21-9-8-15)7-6-12-16-10-4-2-3-5-11(10)17-12/h2-5H,6-7,9H2,1H3,(H,16,17)
InChIKey FEHWORQCIIAXDF-UHFFFAOYSA-N
Mol Weight 298.37 g/mol
Molecular Formula C14H14N6S
Exact Mass 298.100066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aBj92QZFAM
Name Pyrrol5-[2-(1H-benzoimidazol-2-yl)ethyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmorphoacetonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.100065649 u
Formula C14H14N6S
InChI InChI=1S/C14H14N6S/c1-20-13(18-19-14(20)21-9-8-15)7-6-12-16-10-4-2-3-5-11(10)17-12/h2-5H,6-7,9H2,1H3,(H,16,17)
InChIKey FEHWORQCIIAXDF-UHFFFAOYSA-N
Molecular Weight 298.368 g/mol
SMILES C12=C(N=C(N2)CCC=2N(C(SCC#N)=NN2)C)C=CC=C1