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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(4-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=NC=C5)C

Isomeric SMILES

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

InChI

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