1-(4-fluorophenyl)-3,5-dimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-[3-(phenylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-[3-(phenylthio)propyl]pyrazole-4-carboxamide Formula: C21H22FN3OS MolecularWeight: 383.482283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCCSC3=CC=CC=C3

InChI

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