N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C28H23ClN4OS MolecularWeight: 499.02642

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN4OS/c1-17-27(18(2)33(3)32-17)25-16-22(21-8-4-5-9-23(21)30-25)28(34)31-24-10-6-7-11-26(24)35-20-14-12-19(29)13-15-20/h4-16H,1-3H3,(H,31,34)