CHEBI:91703 - 3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
ChEBI ID CHEBI:91703
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H19FN4O3S
Net Charge 0
Average Mass 426.466
Monoisotopic Mass 426.11619
InChI InChI=1S/C21H19FN4O3S/c1-27-18-7-6-13(10-19(18)29-14-8-9-28-11-14)17-12-30-21-24-23-20(26(21)25-17)15-4-2-3-5-16(15)22/h2-7,10,14H,8-9,11-12H2,1H3
InChIKey DABWMCYEHVDPBR-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC=CC=C4F)OC5CCOC5
ChEBI Ontology
Outgoing 3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CHEBI:91703) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-1553 LINCS
View more database links