1-(4-fluorophenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H20FN3OS/c1-15-19(13-23-24(15)18-9-7-17(21)8-10-18)20(25)22-11-12-26-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,25)