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

Systemtic Name: 4-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]benzoate IUPAC Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-benzylimidazol-2-yl)thio]methyl]benzoate Formula: C18H15N2O2S- MolecularWeight: 323.3889

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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)/p-1