1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone

Systemtic Name: 1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone Openeye Name: 1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]ethanone CAS Name: 1-[3-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]ethanone IUPAC Name: 1-[3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone Traditional Name: 1-[1-keto-3-[[(1-methylimidazol-2-yl)thio]methyl]-4-oxido-quinoxalin-1-ium-2-yl]ethanone Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC3=NC=CN3C

Isomeric SMILES

CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC3=NC=CN3C

InChI

InChI=1S/C15H14N4O3S/c1-10(20)14-13(9-23-15-16-7-8-17(15)2)18(21)11-5-3-4-6-12(11)19(14)22/h3-8H,9H2,1-2H3