4-(2-imidazol-1-ylethylsulfanyl)benzoic acid

Systemtic Name: 4-(2-imidazol-1-ylethylsulfanyl)benzoic acid Openeye Name: 4-(2-imidazol-1-ylethylsulfanyl)benzoic acid CAS Name: 4-[2-(1-imidazolyl)ethylthio]benzoic acid IUPAC Name: 4-(2-imidazol-1-ylethylsulfanyl)benzoic acid Traditional Name: 4-(2-imidazol-1-ylethylthio)benzoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCN2C=CN=C2

InChI

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