2-[1-(3-chloranyl-4-cyano-phenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-chloranyl-4-cyano-phenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-chloro-4-cyano-phenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-chloro-4-cyanophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-chloro-4-cyanophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-chloro-4-cyano-phenyl)imidazol-2-yl]thio]acetic acid Formula: C12H8ClN3O2S MolecularWeight: 293.72882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=CN=C2SCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1N2C=CN=C2SCC(=O)O)Cl)C#N

InChI

InChI=1S/C12H8ClN3O2S/c13-10-5-9(2-1-8(10)6-14)16-4-3-15-12(16)19-7-11(17)18/h1-5H,7H2,(H,17,18)