N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN4OS/c1-2-32-17-18(16-29-32)25-15-22(21-7-3-4-8-23(21)30-25)27(33)31-24-9-5-6-10-26(24)34-20-13-11-19(28)12-14-20/h3-17H,2H2,1H3,(H,31,33)