N-(2-methylbutyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-methylbutyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-(2-methylbutyl)pyridine-3-carboxamide CAS Name: N-(2-methylbutyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-N-(2-methylbutyl)pyridine-3-carboxamide Traditional Name: 6-(benzylthio)-N-(2-methylbutyl)nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCC(C)CNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-3-14(2)11-20-18(21)16-9-10-17(19-12-16)22-13-15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,20,21)