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

Systemtic Name: 4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]benzoic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CO

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CO

InChI

InChI=1S/C15H18N2O3S/c1-2-7-21-15-16-8-13(10-18)17(15)9-11-3-5-12(6-4-11)14(19)20/h3-6,8,18H,2,7,9-10H2,1H3,(H,19,20)