2,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Openeye Name: 2,6-dimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 2,6-dimethyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 2,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide Traditional Name: 2,6-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]cinchoninamide Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

InChI

InChI=1S/C24H21N3OS/c1-16-5-10-23-21(12-16)22(13-17(2)26-23)24(28)27-19-6-8-20(9-7-19)29-15-18-4-3-11-25-14-18/h3-14H,15H2,1-2H3,(H,27,28)