2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-[methyl(propyl)amino]phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-[methyl(propyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[2-[methyl(propyl)amino]benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CCCN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H24N4OS/c1-3-15-26(2)20-9-5-4-7-17(20)16-28-22-19(8-6-12-24-22)21(27)25-18-10-13-23-14-11-18/h4-14H,3,15-16H2,1-2H3,(H,23,25,27)