N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[[5-(4-chlorophenyl)-2-furanyl]methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H15ClN2O3S MolecularWeight: 374.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C18H15ClN2O3S/c19-14-6-4-13(5-7-14)16-9-8-15(24-16)11-20-17(22)12-25-18-3-1-2-10-21(18)23/h1-10H,11-12H2,(H,20,22)