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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pentan-2-yl-pyridine-3-carboxamide Openeye Name: N-(1-methylbutyl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-pentan-2-yl-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pentan-2-ylpyridine-3-carboxamide Traditional Name: N-(1-methylbutyl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

Isomeric SMILES

CCCC(C)NC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

InChI

InChI=1S/C16H21N3O2S/c1-4-6-11(2)18-15(20)14-7-5-8-17-16(14)22-10-13-9-12(3)21-19-13/h5,7-9,11H,4,6,10H2,1-3H3,(H,18,20)