N-(2-phenylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-phenylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[2-(phenylthio)phenyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[2-(phenylthio)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C28H24N4OS/c1-18-27(19(2)32(3)31-18)25-17-22(21-13-7-8-14-23(21)29-25)28(33)30-24-15-9-10-16-26(24)34-20-11-5-4-6-12-20/h4-17H,1-3H3,(H,30,33)