4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoic acid

Systemtic Name: 4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoic acid Openeye Name: 4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoic acid CAS Name: 4-[3-[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylpropoxy]benzoic acid Traditional Name: 4-[3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]propoxy]benzoic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCOC2=CC=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCOC2=CC=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C17H22N2O3S/c1-4-19-13(3)12(2)18-17(19)23-11-5-10-22-15-8-6-14(7-9-15)16(20)21/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)