2-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-propanoic acid Openeye Name: 2-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-propanoic acid CAS Name: 2-methyl-2-[(1,4,5-triphenyl-2-imidazolyl)thio]propanoic acid IUPAC Name: 2-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-methyl-2-[(1,4,5-triphenylimidazol-2-yl)thio]propionic acid Formula: C25H22N2O2S MolecularWeight: 414.51938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-25(2,23(28)29)30-24-26-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27(24)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,28,29)