N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxy-pyridine-3-carboxamide bromide

Systemtic Name: N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxy-pyridine-3-carboxamide bromide Openeye Name: N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxy-pyridine-3-carboxamide bromide CAS Name: N-[2-(4,5-dihydro-1H-imidazol-2-ylthio)ethyl]-2-phenoxy-3-pyridinecarboxamide bromide IUPAC Name: N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-phenoxypyridine-3-carboxamide bromide Traditional Name: N-[2-(2-imidazolin-2-ylthio)ethyl]-2-phenoxy-nicotinamide bromide Formula: C17H18BrN4O2S- MolecularWeight: 422.31942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCCNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CN=C(N1)SCCNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H18N4O2S.BrH/c22-15(18-11-12-24-17-20-9-10-21-17)14-7-4-8-19-16(14)23-13-5-2-1-3-6-13;/h1-8H,9-12H2,(H,18,22)(H,20,21);1H/p-1