N-(3,5-dimethylphenyl)-2-[(2-methylquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-methylquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-methyl-4-quinolyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-methyl-4-quinolinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-methylquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-methyl-4-quinolyl)methylthio]nicotinamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC4=CC=CC=C43)C)C

InChI

InChI=1S/C25H23N3OS/c1-16-11-17(2)13-20(12-16)28-24(29)22-8-6-10-26-25(22)30-15-19-14-18(3)27-23-9-5-4-7-21(19)23/h4-14H,15H2,1-3H3,(H,28,29)