2-[1-(4-cyanophenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-cyanophenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-cyanophenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-cyanophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-cyanophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-cyanophenyl)imidazol-2-yl]thio]acetic acid Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=CN=C2SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=CN=C2SCC(=O)O

InChI

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