2-[(2-chlorophenyl)methylsulfanyl]-N-hexyl-pyridine-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-hexyl-pyridine-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-hexyl-pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-hexyl-3-pyridinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-hexylpyridine-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-hexyl-nicotinamide Formula: C19H23ClN2OS MolecularWeight: 362.91672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C19H23ClN2OS/c1-2-3-4-7-12-21-18(23)16-10-8-13-22-19(16)24-14-15-9-5-6-11-17(15)20/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,23)