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

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ChEBI Name carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester
ChEBI ID CHEBI:104009
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H15BrN4S
Net Charge 0
Average Mass 387.298
Monoisotopic Mass 386.02008
InChI InChI=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)
InChIKey HWMASQCYVGFFIE-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=N)N
ChEBI Ontology
Outgoing 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 Xref Database
LSM-15363 LINCS
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