N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:120445)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120445 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:120445
ChEBI Name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide
Stars
Downloads	Molfile

Formula	C25H21N5O2S2
Net Charge	0
Average Mass	487.610
Monoisotopic Mass	487.11367
SMILES	N#Cc1c(NC(=O)CSC2=NNC(=C3C=CC=CC3=O)N2c2ccccc2)sc2c1CCCC2
InChI	InChI=1S/C25H21N5O2S2/c26-14-19-17-10-5-7-13-21(17)34-24(19)27-22(32)15-33-25-29-28-23(18-11-4-6-12-20(18)31)30(25)16-8-2-1-3-9-16/h1-4,6,8-9,11-12,28H,5,7,10,13,15H2,(H,27,32)
InChIKey	BPVYKMQKKVJLLM-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:120445) is a quinomethanes (CHEBI:52404)

Manual Xrefs	Databases
LSM-31888	LINCS