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

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylate IUPAC Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylate Formula: C15H12N3O2S- MolecularWeight: 298.33968

Click to see the large picture

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)/p-1