3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-thione

Systemtic Name: 3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-thione Openeye Name: 1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-thione CAS Name: 1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumthione IUPAC Name: 1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-thione Traditional Name: 1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-thione Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N(C1=S)O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N(C1=S)O)[O-]

InChI

InChI=1S/C9H8N2O2S/c1-6-9(14)11(13)8-5-3-2-4-7(8)10(6)12/h2-5,13H,1H3