N-pentyl-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2

InChI

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