CHEBI:94209 - 2-bromo-4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-bromo-4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone
ChEBI ID CHEBI:94209
Stars This entity has been manually annotated by a third party.
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
Formula C16H19BrN4O2S
Net Charge 0
Average Mass 411.318
Monoisotopic Mass 410.04121
InChI InChI=1S/C16H19BrN4O2S/c1-23-13-8-10(7-12(17)14(13)22)9-18-21-15(19-20-16(21)24)11-5-3-2-4-6-11/h7-9,11,18H,2-6H2,1H3,(H,20,24)
InChIKey RSNAWJQFQRLPDP-UHFFFAOYSA-N
SMILES COC1=CC(=CNN2C(=NNC2=S)C3CCCCC3)C=C(C1=O)Br
ChEBI Ontology
Outgoing 2-bromo-4-[[(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone (CHEBI:94209) is a quinomethanes (CHEBI:52404)
Manual Xref Database
LSM-4831 LINCS
View more database links