EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121356 - 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:121356
ChEBI Name4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide
Stars
DownloadsMolfile
FormulaC14H14BrN5O4S
Net Charge0
Average Mass428.268
Monoisotopic Mass426.99499
SMILESCCOc1ccc(NC(=S)NC(=O)c2c(Br)cnn2C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14BrN5O4S/c1-3-24-8-4-5-10(11(6-8)20(22)23)17-14(25)18-13(21)12-9(15)7-16-19(12)2/h4-7H,3H2,1-2H3,(H2,17,18,21,25)
InChIKeyZLWWJZPOBFTGCW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide (CHEBI:121356) is a thioureas (CHEBI:51276)
Manual XrefsDatabases
LSM-32799LINCS