6-bromanyl-2-methyl-3-(3-oxidanylidenebutyl)quinoline-4-thiolate

Systemtic Name: 6-bromanyl-2-methyl-3-(3-oxidanylidenebutyl)quinoline-4-thiolate Openeye Name: 6-bromo-2-methyl-3-(3-oxobutyl)quinoline-4-thiolate CAS Name: 6-bromo-2-methyl-3-(3-oxobutyl)-4-quinolinethiolate IUPAC Name: 6-bromo-2-methyl-3-(3-oxobutyl)quinoline-4-thiolate Traditional Name: 6-bromo-3-(3-ketobutyl)-2-methyl-quinoline-4-thiolate Formula: C14H13BrNOS- MolecularWeight: 323.22812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1CCC(=O)C)[S-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1CCC(=O)C)[S-]

InChI

InChI=1S/C14H14BrNOS/c1-8(17)3-5-11-9(2)16-13-6-4-10(15)7-12(13)14(11)18/h4,6-7H,3,5H2,1-2H3,(H,16,18)/p-1