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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > addition compound > u0126.etoh

Preferred term

u0126.etoh  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22N6OS2

has_part

has_role

inchi

  • InChI=1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;

inchikey

  • CFQULUVMLGZVAF-OYJDLGDISA-N

mass

  • 426.561

monoisotopicmass

  • 426.12965

smiles

  • C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)/N)/C#N)/N.CCO

subset

  • 3_STAR

synonym EXACT

  • (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1:1)

synonym RELATED

  • U0126 ethanolate
  • U0126-EtOH

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90692

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