2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide CAS Name: 2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-N-[3-(methylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-[3-(methylthio)phenyl]cinchoninamide Formula: C29H26N4OS MolecularWeight: 478.60794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC(=CC=C5)SC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC(=CC=C5)SC)C

InChI

InChI=1S/C29H26N4OS/c1-4-20-12-14-22(15-13-20)33-19(2)26(18-30-33)28-17-25(24-10-5-6-11-27(24)32-28)29(34)31-21-8-7-9-23(16-21)35-3/h5-18H,4H2,1-3H3,(H,31,34)