6-butylsulfanyl-4-oxidanidyl-quinoxalin-1-ium 1-oxide

Systemtic Name: 6-butylsulfanyl-4-oxidanidyl-quinoxalin-1-ium 1-oxide Openeye Name: 6-butylsulfanyl-4-oxido-quinoxalin-1-ium 1-oxide CAS Name: 6-(butylthio)-4-oxidoquinoxalin-1-ium 1-oxide IUPAC Name: 6-butylsulfanyl-4-oxidoquinoxalin-1-ium 1-oxide Traditional Name: 6-(butylthio)-4-oxido-quinoxalin-1-ium 1-oxide Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)[N+](=O)C=CN2[O-]

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)[N+](=O)C=CN2[O-]

InChI

InChI=1S/C12H14N2O2S/c1-2-3-8-17-10-4-5-11-12(9-10)14(16)7-6-13(11)15/h4-7,9H,2-3,8H2,1H3