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CHEBI:47123 - 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE

Default Structure
ChEBI IDCHEBI:47123
ChEBI Name2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC16H13BrN6O3S
Net Charge0
Average Mass449.290
Monoisotopic Mass447.99532
SMILES[H]c1c([H])c(N(n2c([H])nnc2[H])C([H])([H])c2c([H])c([H])c(OS(=O)(=O)N([H])[H])c(Br)c2[H])c([H])c([H])c1C#N
InChIInChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)
InChIKeyGHDKYBCUDPSXGJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE (CHEBI:47123) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamatePDBeChem
2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATEPDBeChem
Manual XrefsDatabases
4TRPDBeChem