1-(1-methylimidazol-2-yl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(1-methylimidazol-2-yl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(1-methylimidazol-2-yl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(1-methyl-2-imidazolyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(1-methylimidazol-2-yl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(1-methylimidazol-2-yl)thio]isoquinoline-3-carboxylic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H11N3O2S/c1-17-7-6-15-14(17)20-12-10-5-3-2-4-9(10)8-11(16-12)13(18)19/h2-8H,1H3,(H,18,19)