4-[3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropoxy]benzoic acid

Systemtic Name: 4-[3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropoxy]benzoic acid Openeye Name: 4-[3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropoxy]benzoic acid CAS Name: 4-[3-[(1,4,5-trimethyl-2-imidazolyl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-(1,4,5-trimethylimidazol-2-yl)sulfanylpropoxy]benzoic acid Traditional Name: 4-[3-[(1,4,5-trimethylimidazol-2-yl)thio]propoxy]benzoic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCCCOC2=CC=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCCCOC2=CC=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C16H20N2O3S/c1-11-12(2)18(3)16(17-11)22-10-4-9-21-14-7-5-13(6-8-14)15(19)20/h5-8H,4,9-10H2,1-3H3,(H,19,20)