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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylsulfanylphenyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylsulfanylphenyl)quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-[2-(phenylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylsulfanylphenyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[2-(phenylthio)phenyl]cinchoninamide Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)C

InChI

InChI=1S/C27H22N4OS/c1-18-22(17-31(2)30-18)25-16-21(20-12-6-7-13-23(20)28-25)27(32)29-24-14-8-9-15-26(24)33-19-10-4-3-5-11-19/h3-17H,1-2H3,(H,29,32)