2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-pyridylmethyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(pyridin-4-ylmethyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-pyridylmethyl)imidazol-2-yl]thio]acetate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CN2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CN2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c15-10(16)8-17-11-13-5-6-14(11)7-9-1-3-12-4-2-9/h1-6H,7-8H2,(H,15,16)/p-1