2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-N-[[4-(methylthio)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-[4-(methylthio)benzyl]cinchoninamide Formula: C28H23FN4OS MolecularWeight: 482.571823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)SC

InChI

InChI=1S/C28H23FN4OS/c1-18-25(17-31-33(18)21-11-9-20(29)10-12-21)27-15-24(23-5-3-4-6-26(23)32-27)28(34)30-16-19-7-13-22(35-2)14-8-19/h3-15,17H,16H2,1-2H3,(H,30,34)