[3-(methylsulfanylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [3-(methylsulfanylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-phenyl-methanone Openeye Name: [3-(methylsulfanylmethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-phenyl-methanone CAS Name: [3-[(methylthio)methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-phenylmethanone IUPAC Name: [3-(methylsulfanylmethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-phenylmethanone Traditional Name: [1-keto-3-[(methylthio)methyl]-4-oxido-quinoxalin-1-ium-2-yl]-phenyl-methanone Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-23-11-15-16(17(20)12-7-3-2-4-8-12)19(22)14-10-6-5-9-13(14)18(15)21/h2-10H,11H2,1H3