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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione

Preferred term

4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1h-1,2,4-triazole-5-thione  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H18N4O2S

inchi

  • InChI=1S/C17H18N4O2S/c1-22-14-4-3-12(11-15(14)23-2)7-10-21-16(19-20-17(21)24)13-5-8-18-9-6-13/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,24)

inchikey

  • ZIZZNZDGXGANHZ-UHFFFAOYSA-N

mass

  • 342.417

monoisotopicmass

  • 342.11505

smiles

  • COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=NC=C3)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114526

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