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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-veratryl-nicotinamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O4S/c1-13-9-15(23-27-13)12-28-20-16(5-4-8-21-20)19(24)22-11-14-6-7-17(25-2)18(10-14)26-3/h4-10H,11-12H2,1-3H3,(H,22,24)