5-bromanyl-N-(4-butylsulfanylphenyl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(4-butylsulfanylphenyl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(4-butylsulfanylphenyl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-(butylthio)phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(4-butylsulfanylphenyl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(butylthio)phenyl]nicotinamide Formula: C16H17BrN2OS MolecularWeight: 365.28798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H17BrN2OS/c1-2-3-8-21-15-6-4-14(5-7-15)19-16(20)12-9-13(17)11-18-10-12/h4-7,9-11H,2-3,8H2,1H3,(H,19,20)