5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-2-furoate Formula: C21H15N2O3S- MolecularWeight: 375.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)SCC3=CC=C(O3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)SCC3=CC=C(O3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c24-20(25)17-12-11-16(26-17)13-27-21-22-18(14-7-3-1-4-8-14)19(23-21)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23)(H,24,25)/p-1