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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiazoles > e3040
organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > e3040
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzothiazoles > e3040
organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > e3040
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > e3040
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > e3040
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > e3040
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > e3040
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > e3040
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > e3040
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > e3040
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > e3040
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > e3040

Preferred term

e3040  

Type

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

Broader concept

charge

  • 0

formula

  • C16H17N3OS

has_role

inchi

  • InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)

inchikey

  • IONAQTGMWFXHIX-UHFFFAOYSA-N

mass

  • 299.390

monoisotopicmass

  • 299.10923

smiles

  • C1(=C(CC2=CN=CC=C2)C3=C(C(C)=C1O)SC(NC)=N3)C

subset

  • 3_STAR

synonym EXACT

  • 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
  • E3040

synonym RELATED

  • 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl) benzothiazole
  • E-3040

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4732

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