skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nitro compound > c-nitro compound > n-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1h-1,2,4-triazol-3-yl)thio]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > n-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1h-1,2,4-triazol-3-yl)thio]acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > n-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1h-1,2,4-triazol-3-yl)thio]acetamide

Preferred term

n-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1h-1,2,4-triazol-3-yl)thio]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C13H14BrN5O3S

inchi

  • InChI=1S/C13H14BrN5O3S/c1-7(2)12-16-13(18-17-12)23-6-11(20)15-10-4-3-8(19(21)22)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,20)(H,16,17,18)

inchikey

  • XFTQRQAYSLSXPM-UHFFFAOYSA-N

mass

  • 400.252

monoisotopicmass

  • 399.00007

smiles

  • CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117171

Download this concept:

RDF/XML TURTLE JSON-LD