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 > halogen molecular entity > bromine molecular entity > organobromine compound > 1-(4-amino-1,2,5-oxadiazol-3-yl)-n-[(2-bromophenyl)methylideneamino]-5-(1-pyrrolidinylmethyl)-4-triazolecarboxamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organobromine compound > 1-(4-amino-1,2,5-oxadiazol-3-yl)-n-[(2-bromophenyl)methylideneamino]-5-(1-pyrrolidinylmethyl)-4-triazolecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organobromine compound > 1-(4-amino-1,2,5-oxadiazol-3-yl)-n-[(2-bromophenyl)methylideneamino]-5-(1-pyrrolidinylmethyl)-4-triazolecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organobromine compound > 1-(4-amino-1,2,5-oxadiazol-3-yl)-n-[(2-bromophenyl)methylideneamino]-5-(1-pyrrolidinylmethyl)-4-triazolecarboxamide

Preferred term

1-(4-amino-1,2,5-oxadiazol-3-yl)-n-[(2-bromophenyl)methylideneamino]-5-(1-pyrrolidinylmethyl)-4-triazolecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C17H18BrN9O2

inchi

  • InChI=1S/C17H18BrN9O2/c18-12-6-2-1-5-11(12)9-20-22-17(28)14-13(10-26-7-3-4-8-26)27(25-21-14)16-15(19)23-29-24-16/h1-2,5-6,9H,3-4,7-8,10H2,(H2,19,23)(H,22,28)

inchikey

  • AFJWJNWNXFMXPZ-UHFFFAOYSA-N

mass

  • 460.288

monoisotopicmass

  • 459.07668

smiles

  • C1CCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4Br

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95243

Download this concept:

RDF/XML TURTLE JSON-LD