CHEBI:108004 - 2-amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone
ChEBI ID CHEBI:108004
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H22N4O2S
Net Charge 0
Average Mass 418.513
Monoisotopic Mass 418.14635
InChI InChI=1S/C23H22N4O2S/c1-14(2)29-19-10-9-16(11-15(19)3)21-17(12-20-22(28)25-23(24)30-20)13-27(26-21)18-7-5-4-6-8-18/h4-14H,1-3H3,(H2,24,25,28)
InChIKey BITNRXKPTDBRDQ-UHFFFAOYSA-N
SMILES CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)C4=CC=CC=C4)OC(C)C
ChEBI Ontology
Outgoing 2-amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone (CHEBI:108004) is a pyrazoles (CHEBI:26410)
2-amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone (CHEBI:108004) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-19381 LINCS
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