2-(1-isoquinolin-5-ylimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-isoquinolin-5-ylimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-[1-(5-isoquinolyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(5-isoquinolinyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-(1-isoquinolin-5-ylimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[[1-(5-isoquinolyl)imidazol-2-yl]thio]acetic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)N3C=CN=C3SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)N3C=CN=C3SCC(=O)O

InChI

InChI=1S/C14H11N3O2S/c18-13(19)9-20-14-16-6-7-17(14)12-3-1-2-10-8-15-5-4-11(10)12/h1-8H,9H2,(H,18,19)