CHEBI:109625 - 2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile
ChEBI ID CHEBI:109625
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H15Cl2N5OS
Net Charge 0
Average Mass 480.371
Monoisotopic Mass 479.03744
InChI InChI=1S/C23H15Cl2N5OS/c1-13-20(21(16(10-26)11-27)15-4-8-18(25)9-5-15)22(31)30(29-13)23-28-12-19(32-23)14-2-6-17(24)7-3-14/h2-9,12,16,21,29H,1H3
InChIKey MQKGOGPPNXCWRF-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=C(C=C3)Cl)C(C4=CC=C(C=C4)Cl)C(C#N)C#N
ChEBI Ontology
Outgoing 2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile (CHEBI:109625) is a thiazoles (CHEBI:48901)
Manual Xref Database
LSM-21053 LINCS
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