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

Systemtic Name: N-heptan-2-yl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1-methylhexyl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-heptan-2-yl-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-heptan-2-yl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(1-methylhexyl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-4-5-6-8-13(2)20-17(22)16-9-7-10-19-18(16)24-12-15-11-14(3)23-21-15/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,20,22)