N-[3-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]phenyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]phenyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[3-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]phenyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[3-[(3-chloro-2-fluorophenyl)methylthio]phenyl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-[3-[(3-chloro-2-fluoro-benzyl)thio]phenyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C26H23ClFN3OS MolecularWeight: 479.996723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)SCC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)SCC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C26H23ClFN3OS/c1-2-8-24-22(16-29-31(24)20-11-4-3-5-12-20)26(32)30-19-10-7-13-21(15-19)33-17-18-9-6-14-23(27)25(18)28/h3-7,9-16H,2,8,17H2,1H3,(H,30,32)