4-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(1-benzylimidazol-2-yl)thio]methyl]benzoic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2S/c21-17(22)16-8-6-15(7-9-16)13-23-18-19-10-11-20(18)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,22)