CHEBI:108460 - 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
ChEBI ID CHEBI:108460
Stars This entity has been manually annotated by a third party.
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Formula C22H18N4O2S
Net Charge 0
Average Mass 402.471
Monoisotopic Mass 402.11505
InChI InChI=1S/C22H18N4O2S/c1-27-19-5-2-4-18(12-19)21-24-25-22(26(21)14-20-6-3-11-28-20)29-15-17-9-7-16(13-23)8-10-17/h2-12H,14-15H2,1H3
InChIKey QWKVQVYOJYHALP-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N
ChEBI Ontology
Outgoing 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile (CHEBI:108460) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-19836 LINCS
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