2-[1-(3-cyanophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(3-cyanophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(3-cyanophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-cyanophenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(3-cyanophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-cyanophenyl)imidazol-2-yl]thio]acetate Formula: C12H8N3O2S- MolecularWeight: 258.27582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)[O-])C#N

InChI

InChI=1S/C12H9N3O2S/c13-7-9-2-1-3-10(6-9)15-5-4-14-12(15)18-8-11(16)17/h1-6H,8H2,(H,16,17)/p-1