2-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-4-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-butyl-4-(ethylthio)-5-methylol-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CO)SCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CO)SCC

InChI

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