N-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)OC

InChI

InChI=1S/C20H19N3O3S/c1-25-17-6-5-15(12-18(17)26-2)23-19(24)16-4-3-9-22-20(16)27-13-14-7-10-21-11-8-14/h3-12H,13H2,1-2H3,(H,23,24)