2-[(2,4-dimethoxy-6-methyl-phenyl)methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxy-6-methyl-phenyl)methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxy-6-methyl-phenyl)methylsulfinyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxy-6-methylphenyl)methylsulfinyl]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxy-6-methylphenyl)methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-(2,4-dimethoxy-6-methyl-benzyl)sulfinyl-N-(4-pyridyl)nicotinamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC(=C1CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OC)OC

InChI

InChI=1S/C21H21N3O4S/c1-14-11-16(27-2)12-19(28-3)18(14)13-29(26)21-17(5-4-8-23-21)20(25)24-15-6-9-22-10-7-15/h4-12H,13H2,1-3H3,(H,22,24,25)