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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-octyl-pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-octyl-pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-octyl-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-octylpyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-octyl-nicotinamide Formula: C21H27BrN2OS MolecularWeight: 435.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2OS/c1-2-3-4-5-6-7-13-23-20(25)19-12-9-14-24-21(19)26-16-17-10-8-11-18(22)15-17/h8-12,14-15H,2-7,13,16H2,1H3,(H,23,25)