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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-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-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-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-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-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-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-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-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-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-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1h-1,2,4-triazole-5-thione

Preferred term

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1h-1,2,4-triazole-5-thione  

Type

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

Broader concept

charge

  • 0

formula

  • C18H17N3O4S

inchi

  • InChI=1S/C18H17N3O4S/c1-22-13-5-3-11(9-15(13)23-2)17-19-20-18(26)21(17)12-4-6-14-16(10-12)25-8-7-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,26)

inchikey

  • BKKSNCRYGVQVQL-UHFFFAOYSA-N

mass

  • 371.412

monoisotopicmass

  • 371.09398

smiles

  • COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123328

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