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

Systemtic Name: 5-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[4-(hydroxymethyl)-2-(propylthio)-1H-imidazol-5-yl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[4-(hydroxymethyl)-2-propylsulfanyl-1H-imidazol-5-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[4-methylol-2-(propylthio)-1H-imidazol-5-yl]methyl]-2-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=C3)C(=O)O)CO

Isomeric SMILES

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

InChI

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