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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 3-methyl-n-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide

Preferred term

3-methyl-n-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16N4O4S

inchi

  • InChI=1S/C13H16N4O4S/c1-8(2)7-11(18)14-13(22)16-15-12(19)9-3-5-10(6-4-9)17(20)21/h3-6,8H,7H2,1-2H3,(H,15,19)(H2,14,16,18,22)

inchikey

  • GNXQJDDYSMMYSN-UHFFFAOYSA-N

mass

  • 324.357

monoisotopicmass

  • 324.08923

smiles

  • CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107703

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