N-hexyl-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-hexyl-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-hexyl-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-hexyl-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-hexyl-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-hexyl-2-(phenylthio)nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-2-3-4-8-13-19-17(21)16-12-9-14-20-18(16)22-15-10-6-5-7-11-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,19,21)