2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Openeye Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid CAS Name: 2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Traditional Name: 2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC2=NC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C15H13N3O2S/c1-18-7-6-16-15(18)21-9-13-11(14(19)20)8-10-4-2-3-5-12(10)17-13/h2-8H,9H2,1H3,(H,19,20)