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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-hexyl-pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-hexyl-pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-hexyl-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-hexylpyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-hexyl-nicotinamide Formula: C19H23BrN2OS MolecularWeight: 407.36772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H23BrN2OS/c1-2-3-4-5-11-21-18(23)17-10-7-12-22-19(17)24-14-15-8-6-9-16(20)13-15/h6-10,12-13H,2-5,11,14H2,1H3,(H,21,23)