2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]acetic acid CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylthio]acetic acid IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-imidazol-1-ylbenzyl)thio]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)O)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)O)N2C=CN=C2

InChI

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