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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 4-[(2-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1h-1,2,4-triazole-5-thione

Preferred term

4-[(2-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1h-1,2,4-triazole-5-thione  

Type

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

Broader concept

charge

  • 0

formula

  • C16H13N5O3S

inchi

  • InChI=1S/C16H13N5O3S/c22-21(23)14-9-5-4-6-12(14)10-17-20-15(18-19-16(20)25)11-24-13-7-2-1-3-8-13/h1-10H,11H2,(H,19,25)

inchikey

  • OMPGJOQTZBOCKG-UHFFFAOYSA-N

mass

  • 355.373

monoisotopicmass

  • 355.07391

smiles

  • C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121685

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