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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-(4-pentylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide Traditional Name: N-(4-amylphenyl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-3-4-5-7-17-9-11-18(12-10-17)24-21(26)20-8-6-13-23-22(20)28-15-19-14-16(2)27-25-19/h6,8-14H,3-5,7,15H2,1-2H3,(H,24,26)