2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)thio]acetate IUPAC Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)thio]acetate Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C([NH+]=C(N2)SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C([NH+]=C(N2)SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2S/c20-14(21)11-22-17-18-15(12-7-3-1-4-8-12)16(19-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)