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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone

Preferred term

2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C18H15FN6OS

inchi

  • InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3

inchikey

  • VUDHFUHPZLIZAW-UHFFFAOYSA-N

mass

  • 382.416

monoisotopicmass

  • 382.10121

smiles

  • CN1C(=NN=C1SCC(=O)C2=CC=CC=C2F)CN3C4=CC=CC=C4N=N3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116970

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