CHEBI:105744 - 1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone ChEBI ID CHEBI:105744 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 C22H25N3O3S2 Net Charge 0 Average Mass 443.585 Monoisotopic Mass 443.13373 InChI InChI=1S/C22H25N3O3S2/c1-3-27-19-9-8-16(15(2)26)12-17(19)14-30-22-24-23-21(20-7-5-11-29-20)25(22)13-18-6-4-10-28-18/h5,7-9,11-12,18H,3-4,6,10,13-14H2,1-2H3 InChIKey XNHXVLSNARLKHW-UHFFFAOYSA-N SMILES CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4 ChEBI Ontology Outgoing 1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone (CHEBI:105744) is a aromatic ketone (CHEBI:76224) Manual Xref Database LSM-17106 LINCS View more database links