2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[1-(3-pyridyl)ethyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[1-(3-pyridinyl)ethyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[1-(3-pyridyl)ethyl]imidazol-2-yl]thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-9(10-3-2-4-13-7-10)15-6-5-14-12(15)18-8-11(16)17/h2-7,9H,8H2,1H3,(H,16,17)