3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(4,5-dimethyl-1-phenyl-imidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(4,5-dimethyl-1-phenyl-2-imidazolyl)thio]propanoic acid IUPAC Name: 3-(4,5-dimethyl-1-phenylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4,5-dimethyl-1-phenyl-imidazol-2-yl)thio]propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2S/c1-10-11(2)16(12-6-4-3-5-7-12)14(15-10)19-9-8-13(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)