CHEBI:93987 - 5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide
ChEBI ID CHEBI:93987
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000095678261
Download Molfile XML SDF
Formula C13H11BrN4OS
Net Charge 0
Average Mass 351.223
Monoisotopic Mass 349.98370
InChI InChI=1S/C13H11BrN4OS/c1-8-3-2-4-16-11(8)17-13(20)18-12(19)9-5-10(14)7-15-6-9/h2-7H,1H3,(H2,16,17,18,19,20)
InChIKey ZRPIMPQECBWNSW-UHFFFAOYSA-N
SMILES CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br
ChEBI Ontology
Outgoing 5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide (CHEBI:93987) has functional parent nicotinamide (CHEBI:17154)
5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide (CHEBI:93987) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
LSM-4572 LINCS
View more database links