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CHEBI:104009 - carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester

ChEBI IDCHEBI:104009
ChEBI Namecarbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester
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DownloadsMolfile
FormulaC17H15BrN4S
Net Charge0
Average Mass387.306
Monoisotopic Mass386.02008
SMILESN=C(N)SCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)
InChIKeyHWMASQCYVGFFIE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester (CHEBI:104009) is a pyrazoles (CHEBI:26410)
carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester (CHEBI:104009) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-15363LINCS