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

Systemtic Name: 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-(ethylthio)-5-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-3-5-10-22-25-23(30-4-2)21(16-27)26(22)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(28)29/h6-9,11-14,27H,3-5,10,15-16H2,1-2H3,(H,28,29)