2-[(2,4-diethoxyphenyl)methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-diethoxyphenyl)methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-diethoxyphenyl)methylsulfinyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-diethoxyphenyl)methylsulfinyl]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-diethoxyphenyl)methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-(2,4-diethoxybenzyl)sulfinyl-N-(4-pyridyl)nicotinamide Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCC

InChI

InChI=1S/C22H23N3O4S/c1-3-28-18-8-7-16(20(14-18)29-4-2)15-30(27)22-19(6-5-11-24-22)21(26)25-17-9-12-23-13-10-17/h5-14H,3-4,15H2,1-2H3,(H,23,25,26)