CHEBI:105293 - 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile ChEBI ID CHEBI:105293 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H20N2OS2 Net Charge 0 Average Mass 356.508 Monoisotopic Mass 356.10171 InChI InChI=1S/C19H20N2OS2/c1-19(2,3)16(22)11-24-18-13(10-20)17(15-8-5-9-23-15)12-6-4-7-14(12)21-18/h5,8-9H,4,6-7,11H2,1-3H3 InChIKey PBOKDZKWQZCKEA-UHFFFAOYSA-N SMILES CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3 ChEBI Ontology Outgoing 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CHEBI:105293) is a aryl sulfide (CHEBI:35683) Manual Xref Database LSM-16656 LINCS View more database links