2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(phenylthio)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-methylol-5-(phenylthio)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)SC4=CC=CC=C4)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)SC4=CC=CC=C4)CO

InChI

InChI=1S/C28H28N2O3S/c1-2-3-13-26-29-25(19-31)27(34-22-9-5-4-6-10-22)30(26)18-20-14-16-21(17-15-20)23-11-7-8-12-24(23)28(32)33/h4-12,14-17,31H,2-3,13,18-19H2,1H3,(H,32,33)