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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1h-1,2,4-triazol-3-yl)thio]-2-propenoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1h-1,2,4-triazol-3-yl)thio]-2-propenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1h-1,2,4-triazol-3-yl)thio]-2-propenoic acid

Preferred term

3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1h-1,2,4-triazol-3-yl)thio]-2-propenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H15N3O4S

inchi

  • InChI=1S/C18H15N3O4S/c1-10(22)12-3-5-13(6-4-12)15-8-7-14(25-15)9-16(17(23)24)26-18-19-11(2)20-21-18/h3-9H,1-2H3,(H,23,24)(H,19,20,21)

inchikey

  • ZJTDNRKDJAKASB-UHFFFAOYSA-N

mass

  • 369.396

monoisotopicmass

  • 369.07833

smiles

  • CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)C)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112450

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