2-(1-phenethylimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-phenethylimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-phenethylimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-phenethyl-2-imidazolyl)thio]acetic acid IUPAC Name: 2-(1-phenethylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-phenethylimidazol-2-yl)thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=CN=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=CN=C2SCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-12(17)10-18-13-14-7-9-15(13)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,16,17)