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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C)OCC

InChI

InChI=1S/C21H23N3O4S/c1-4-26-18-9-8-15(12-19(18)27-5-2)23-20(25)17-7-6-10-22-21(17)29-13-16-11-14(3)28-24-16/h6-12H,4-5,13H2,1-3H3,(H,23,25)