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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(4-pentylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-pentylphenyl)pyridine-3-carboxamide Traditional Name: N-(4-amylphenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-5-6-8-18-10-12-19(13-11-18)25-22(27)20-9-7-14-24-23(20)29-15-21-16(2)26-28-17(21)3/h7,9-14H,4-6,8,15H2,1-3H3,(H,25,27)