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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-ethoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-ethoxy-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-ethoxy-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-ethoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-ethoxy-4-pyridyl)methylthio]nicotinamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H23N3O2S/c1-4-27-20-13-17(7-9-23-20)14-28-22-19(6-5-8-24-22)21(26)25-18-11-15(2)10-16(3)12-18/h5-13H,4,14H2,1-3H3,(H,25,26)