2-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(2-pyridyl)ethyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(2-pyridinyl)ethyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(2-pyridyl)ethyl]imidazol-2-yl]thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c16-11(17)9-18-12-14-6-8-15(12)7-4-10-3-1-2-5-13-10/h1-3,5-6,8H,4,7,9H2,(H,16,17)