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

Systemtic Name: [3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methanol Openeye Name: [3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]methanol CAS Name: [3-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]methanol IUPAC Name: [3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]methanol Traditional Name: [1-keto-3-[[(1-methylimidazol-2-yl)thio]methyl]-4-oxido-quinoxalin-1-ium-2-yl]methanol Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C([N+](=O)C3=CC=CC=C3N2[O-])CO

Isomeric SMILES

CN1C=CN=C1SCC2=C([N+](=O)C3=CC=CC=C3N2[O-])CO

InChI

InChI=1S/C14H14N4O3S/c1-16-7-6-15-14(16)22-9-13-12(8-19)17(20)10-4-2-3-5-11(10)18(13)21/h2-7,19H,8-9H2,1H3