2-(phenylmethylsulfanyl)-N-(2,4,6-trimethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(2,4,6-trimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2,4,6-trimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-(phenylmethylthio)-N-(2,4,6-trimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2,4,6-trimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(2,4,6-trimethoxyphenyl)nicotinamide Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-26-16-12-18(27-2)20(19(13-16)28-3)24-21(25)17-10-7-11-23-22(17)29-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3,(H,24,25)