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

Systemtic Name: 2-[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(hydroxymethyl)-2-(propylthio)-1H-imidazol-5-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-methylol-2-(propylthio)-1H-imidazol-5-yl]methyl]phenyl]benzoic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C21H22N2O3S/c1-2-11-27-21-22-18(19(13-24)23-21)12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(25)26/h3-10,24H,2,11-13H2,1H3,(H,22,23)(H,25,26)