2,6-dimethyl-3-(3-oxidanylidenebutyl)quinoline-4-thiolate

Systemtic Name: 2,6-dimethyl-3-(3-oxidanylidenebutyl)quinoline-4-thiolate Openeye Name: 2,6-dimethyl-3-(3-oxobutyl)quinoline-4-thiolate CAS Name: 2,6-dimethyl-3-(3-oxobutyl)-4-quinolinethiolate IUPAC Name: 2,6-dimethyl-3-(3-oxobutyl)quinoline-4-thiolate Traditional Name: 3-(3-ketobutyl)-2,6-dimethyl-quinoline-4-thiolate Formula: C15H16NOS- MolecularWeight: 258.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2[S-])CCC(=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2[S-])CCC(=O)C)C

InChI

InChI=1S/C15H17NOS/c1-9-4-7-14-13(8-9)15(18)12(11(3)16-14)6-5-10(2)17/h4,7-8H,5-6H2,1-3H3,(H,16,18)/p-1