2-(2-imidazol-1-ylethylsulfanyl)benzoate

Systemtic Name: 2-(2-imidazol-1-ylethylsulfanyl)benzoate Openeye Name: 2-(2-imidazol-1-ylethylsulfanyl)benzoate CAS Name: 2-[2-(1-imidazolyl)ethylthio]benzoate IUPAC Name: 2-(2-imidazol-1-ylethylsulfanyl)benzoate Traditional Name: 2-(2-imidazol-1-ylethylthio)benzoate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCCN2C=CN=C2

InChI

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