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

Systemtic Name: 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2-pyridylmethyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2-pyridinylmethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2-pyridylmethyl)imidazol-2-yl]thio]acetic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN2C=CN=C2SCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CN2C=CN=C2SCC(=O)O

InChI

InChI=1S/C11H11N3O2S/c15-10(16)8-17-11-13-5-6-14(11)7-9-3-1-2-4-12-9/h1-6H,7-8H2,(H,15,16)