1-[3-(2-oxidanylidene-1-sulfanyl-propyl)quinoxalin-2-yl]-1-sulfanyl-propan-2-one

Systemtic Name: 1-[3-(2-oxidanylidene-1-sulfanyl-propyl)quinoxalin-2-yl]-1-sulfanyl-propan-2-one Openeye Name: 1-[3-(2-oxo-1-sulfanyl-propyl)quinoxalin-2-yl]-1-sulfanyl-propan-2-one CAS Name: 1-mercapto-1-[3-(1-mercapto-2-oxopropyl)-2-quinoxalinyl]-2-propanone IUPAC Name: 1-[3-(2-oxo-1-sulfanylpropyl)quinoxalin-2-yl]-1-sulfanylpropan-2-one Traditional Name: 1-[3-(2-keto-1-mercapto-propyl)quinoxalin-2-yl]-1-mercapto-acetone Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NC2=CC=CC=C2N=C1C(C(=O)C)S)S

Isomeric SMILES

CC(=O)C(C1=NC2=CC=CC=C2N=C1C(C(=O)C)S)S

InChI

InChI=1S/C14H14N2O2S2/c1-7(17)13(19)11-12(14(20)8(2)18)16-10-6-4-3-5-9(10)15-11/h3-6,13-14,19-20H,1-2H3