N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(2-pyridyl)cinchoninamide Formula: C29H23N3OS MolecularWeight: 461.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)C

InChI

InChI=1S/C29H23N3OS/c1-19-10-13-23(17-20(19)2)34-22-14-11-21(12-15-22)31-29(33)25-18-28(27-9-5-6-16-30-27)32-26-8-4-3-7-24(25)26/h3-18H,1-2H3,(H,31,33)