2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]acetamide Formula: C26H21FN4OS MolecularWeight: 456.534543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CSCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CSCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21FN4OS/c27-23-12-10-21(11-13-23)26-22(16-31(30-26)24-4-2-1-3-5-24)15-29-25(32)18-33-17-20-8-6-19(14-28)7-9-20/h1-13,16H,15,17-18H2,(H,29,32)