N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-veratryl-nicotinamide Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O3S/c1-25-18-11-10-15(13-19(18)26-2)14-23-20(24)17-9-6-12-22-21(17)27-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,23,24)