CHEBI:109211 - 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
ChEBI ID CHEBI:109211
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H19N5O3S
Net Charge 0
Average Mass 409.463
Monoisotopic Mass 409.12086
InChI InChI=1S/C20H19N5O3S/c1-26-13-6-4-12(5-7-13)15-11-16(22-21-15)19-23-24-20(29)25(19)17-10-14(27-2)8-9-18(17)28-3/h4-11H,1-3H3,(H,21,22)(H,24,29)
InChIKey CIVGOFLQHLYHQX-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=C(C=CC(=C4)OC)OC
ChEBI Ontology
Outgoing 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione (CHEBI:109211) is a pyrazoles (CHEBI:26410)
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione (CHEBI:109211) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-20608 LINCS
View more database links