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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone
... > 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 > 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone

Preferred term

2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C13H11N3O3S

inchi

  • InChI=1S/C13H11N3O3S/c1-9-5-6-14-13(15-9)20-8-12(17)10-3-2-4-11(7-10)16(18)19/h2-7H,8H2,1H3

inchikey

  • YCTJDGGSVYNCHN-UHFFFAOYSA-N

mass

  • 289.311

monoisotopicmass

  • 289.05211

smiles

  • CC1=NC(=NC=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109460

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