N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-homoveratryl-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-14-11-16(24-28-14)13-29-21-17(5-4-9-23-21)20(25)22-10-8-15-6-7-18(26-2)19(12-15)27-3/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,22,25)