2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]acetate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H12N2O2S/c15-11(16)9-17-12-13-6-7-14(12)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)/p-1