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

Systemtic Name: 3-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanoic acid CAS Name: 3-methyl-2-[(1,4,5-triphenyl-2-imidazolyl)thio]butanoic acid IUPAC Name: 3-methyl-2-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 3-methyl-2-[(1,4,5-triphenylimidazol-2-yl)thio]butyric acid Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2S/c1-18(2)24(25(29)30)31-26-27-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)28(26)21-16-10-5-11-17-21/h3-18,24H,1-2H3,(H,29,30)