CHEBI:103718 - (2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:103718
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H23N3OS
Net Charge 0
Average Mass 413.537
Monoisotopic Mass 413.15618
InChI InChI=1S/C25H23N3OS/c26-14-22-24(20-12-10-18(11-13-20)17-6-4-5-7-17)23(15-29)28(22)25-27-21(16-30-25)19-8-2-1-3-9-19/h1-3,6,8-13,16,22-24,29H,4-5,7,15H2/t22-,23+,24-/m1/s1
InChIKey YWUOOJZCEOJKLU-TZRRMPRUSA-N
SMILES C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO
ChEBI Ontology
Outgoing (2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile (CHEBI:103718) is a azetidines (CHEBI:38777)
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile (CHEBI:103718) is a benzenes (CHEBI:22712)
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile (CHEBI:103718) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-15062 LINCS
View more database links