CHEBI:105644 - 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one

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ChEBI Name 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
ChEBI ID CHEBI:105644
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H13ClN2OS
Net Charge 0
Average Mass 316.807
Monoisotopic Mass 316.04371
InChI InChI=1S/C16H13ClN2OS/c1-11-15(21-14-9-7-12(17)8-10-14)16(20)19(18-11)13-5-3-2-4-6-13/h2-10,18H,1H3
InChIKey RAJDNSGRBFIOLG-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl
ChEBI Ontology
Outgoing 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:105644) is a pyrazoles (CHEBI:26410)
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:105644) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-17007 LINCS
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