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

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]thio]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]thio]benzoic acid Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)SC3=CC=CC=C3C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)SC3=CC=CC=C3C(=O)O)CO)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-2-3-8-20-24-21(23)18(14-26)25(20)13-15-9-11-16(12-10-15)29-19-7-5-4-6-17(19)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)