5-bromanyl-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-(phenylthio)propyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-[3-(phenylthio)propyl]nicotinamide Formula: C15H15BrN2OS MolecularWeight: 351.2614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H15BrN2OS/c16-13-9-12(10-17-11-13)15(19)18-7-4-8-20-14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)