CHEBI:107791 - 2-[5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid

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ChEBI Name 2-[5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
ChEBI ID CHEBI:107791
Stars This entity has been manually annotated by a third party.
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Formula C25H23N3O4S2
Net Charge 0
Average Mass 493.601
Monoisotopic Mass 493.11300
InChI InChI=1S/C25H23N3O4S2/c1-16(2)15-32-20-10-8-17(9-11-20)23-18(13-28(26-23)19-6-4-3-5-7-19)12-21-24(31)27(14-22(29)30)25(33)34-21/h3-13,16H,14-15H2,1-2H3,(H,29,30)
InChIKey SALDPLRWBABLIU-UHFFFAOYSA-N
SMILES CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4
ChEBI Ontology
Outgoing 2-[5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid (CHEBI:107791) is a pyrazoles (CHEBI:26410)
2-[5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid (CHEBI:107791) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-19168 LINCS
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