1-[2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]pentan-1-one

Systemtic Name: 1-[2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]pentan-1-one Openeye Name: 1-[2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-quinolyl]pentan-1-one CAS Name: 1-[2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinyl]-1-pentanone IUPAC Name: 1-[2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-3-yl]pentan-1-one Traditional Name: 1-[2-[[(1-methylimidazol-2-yl)thio]methyl]-3-quinolyl]pentan-1-one Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC2=CC=CC=C2N=C1CSC3=NC=CN3C

Isomeric SMILES

CCCCC(=O)C1=CC2=CC=CC=C2N=C1CSC3=NC=CN3C

InChI

InChI=1S/C19H21N3OS/c1-3-4-9-18(23)15-12-14-7-5-6-8-16(14)21-17(15)13-24-19-20-10-11-22(19)2/h5-8,10-12H,3-4,9,13H2,1-2H3