3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: 3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: 3-(1-benzylimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[[1-(phenylmethyl)-2-imidazolyl]thio]propanoate IUPAC Name: 3-(1-benzylimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-benzylimidazol-2-yl)thio]propionate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c16-12(17)6-9-18-13-14-7-8-15(13)10-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,16,17)/p-1