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

Systemtic Name: 5-ethyl-1-(4-fluorophenyl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-fluorophenyl)-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H22FN3OS/c1-2-20-19(14-24-25(20)18-10-8-17(22)9-11-18)21(26)23-12-13-27-15-16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)