2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c1-10(11-5-3-2-4-6-11)15-8-7-14-13(15)18-9-12(16)17/h2-8,10H,9H2,1H3,(H,16,17)